
 CHEMBL3616878

236245  0  0  0  0  0  0  0  0999 V2000
   13.9352   16.5957    4.8182 C   0  0  0  0  0
   13.7994   15.9840    6.2132 C   0  0  0  0  0
   14.1350   14.4834    6.2360 C   0  0  0  0  0
   13.2903   13.7363    5.2232 C   0  0  0  0  0
   13.5542   14.3277    3.8330 C   0  0  0  0  0
   13.1669   15.7998    3.7634 C   0  0  0  0  0
   12.7841   13.4197    2.8847 C   0  0  0  0  0
   12.6482   12.0790    3.6352 C   0  0  0  0  0
   13.3345   12.2910    4.9504 N   0  0  0  0  0
   13.6447   11.1355    5.6349 C   0  0  0  0  0
   13.0785   10.0981    5.2506 O   0  0  0  0  0
   14.8146   10.9346    6.6416 C   0  0  0  0  0
   15.2433   11.9363    7.7065 C   0  0  0  0  0
   16.4916   11.5004    8.4622 C   0  0  0  0  0
   17.1596   12.4248    9.2782 C   0  0  0  0  0
   18.3380   12.0653    9.9313 C   0  0  0  0  0
   18.8569   10.7811    9.7803 C   0  0  0  0  0
   18.1943    9.8475    8.9834 C   0  0  0  0  0
   17.0045   10.1918    8.3288 C   0  0  0  0  0
   16.3063    9.1786    7.4430 C   0  0  0  0  0
   14.9025    9.5613    7.2578 N   0  0  0  0  0
   14.0336    8.9790    8.1886 C   0  0  0  0  0
   14.4648    8.1841    9.0389 O   0  0  0  0  0
   12.5021    9.1946    8.1907 C   0  0  0  0  0
   12.0374   10.5990    8.5538 C   0  0  0  0  0
   10.6754   10.5328    8.9937 O   0  0  0  0  0
   11.8815    8.6604    6.9787 N   0  0  0  0  0
   11.3130    7.4216    6.8675 C   0  0  0  0  0
   11.7019    6.6673    5.9731 O   0  0  0  0  0
   10.2514    6.9468    7.8818 C   0  0  0  0  0
   10.8872    6.2628    9.1014 C   0  0  0  0  0
   10.0038    5.1687    9.6488 C   0  0  0  0  0
    9.8218    3.8951    9.1454 C   0  0  0  0  0
    8.9195    3.1244    9.9332 C   0  0  0  0  0
    8.4525    3.8298   11.0190 C   0  0  0  0  0
    9.0856    5.4174   11.0726 S   0  0  0  0  0
    9.3418    8.0443    8.2499 N   0  0  0  0  0
    8.0636    8.2493    7.8003 C   0  0  0  0  0
    7.5541    9.3679    7.9351 O   0  0  0  0  0
    7.2144    7.0588    7.3486 C   0  0  0  0  0
    6.6918    6.4573    8.5640 N   0  0  0  0  0
    5.3854    6.6493    8.9672 C   0  0  0  0  0
    4.4932    7.0465    8.2261 O   0  0  0  0  0
    5.1620    6.3128   10.4508 C   0  0  0  0  0
    5.6433    7.4776   11.3247 C   0  0  0  0  0
    4.3700    8.2625   11.6253 C   0  0  0  0  0
    3.3239    7.1609   11.7296 C   0  0  0  0  0
    3.7654    6.1019   10.8445 N   0  0  0  0  0
    2.9696    4.9874   10.6636 C   0  0  0  0  0
    1.9290    4.8467   11.3137 O   0  0  0  0  0
    3.3809    3.9628    9.5821 C   0  0  0  0  0
    4.5672    3.0975   10.0457 C   0  0  0  0  0
    3.9605    1.7362   10.3501 C   0  0  0  0  0
    2.8527    1.6251    9.3288 C   0  0  0  0  0
    2.3408    2.9776    9.2111 N   0  0  0  0  0
    1.1655    3.1718    8.5086 C   0  0  0  0  0
    0.6249    2.2249    7.9233 O   0  0  0  0  0
    0.4953    4.5688    8.4888 C   0  0  0  0  0
    1.1824    5.5266    7.5028 C   0  0  0  0  0
    0.3843    6.8151    7.2677 C   0  0  0  0  0
    1.1354    7.8149    6.3890 C   0  0  0  0  0
    0.2399    8.8787    5.9528 N   0  0  0  0  0
   -0.2102    9.8323    6.7998 C   0  0  0  0  0
    0.1866   10.0035    8.0058 N   0  0  0  0  0
   -1.1460   10.6041    6.2130 N   0  0  0  0  0
   -0.9081    4.3910    8.0878 N   0  0  0  0  0
   -2.0963    4.5758    8.7089 C   0  0  0  0  0
   -3.0964    4.3106    8.0292 O   0  0  0  0  0
   -2.2485    5.0151   10.1976 C   0  0  0  0  0
   -1.5821    6.3461   10.5661 C   0  0  0  0  0
   -1.6801    6.6390   12.0738 C   0  0  0  0  0
   -0.5706    7.5851   12.5229 C   0  0  0  0  0
   -0.7328    7.9360   13.9270 N   0  0  0  0  0
    0.2476    8.5566   14.6214 C   0  0  0  0  0
    1.5126    8.3706   14.5102 N   0  0  0  0  0
   -0.2269    9.4357   15.5213 N   0  0  0  0  0
   -3.7031    5.1648   10.4258 N   0  0  0  0  0
   -4.6509    4.2511   10.7739 C   0  0  0  0  0
   -5.8084    4.4742   10.4027 O   0  0  0  0  0
   -4.3520    3.0293   11.6673 C   0  0  0  0  0
   -3.4101    2.0341   10.9695 C   0  0  0  0  0
   -3.8106    0.5960   11.2059 C   0  0  0  0  0
   -4.8246    0.0119   10.4318 C   0  0  0  0  0
   -5.2307   -1.3005   10.6741 C   0  0  0  0  0
   -4.6286   -2.0399   11.6901 C   0  0  0  0  0
   -3.6186   -1.4687   12.4628 C   0  0  0  0  0
   -3.2092   -0.1562   12.2226 C   0  0  0  0  0
   -3.8407    3.5161   12.9600 N   0  0  0  0  0
   -4.6146    4.1561   13.8953 C   0  0  0  0  0
   -4.2381    5.2902   14.2175 O   0  0  0  0  0
   -5.8959    3.5430   14.5327 C   0  0  0  0  0
   -7.0902    3.4484   13.5851 C   0  0  0  0  0
   -7.4426    1.9632   13.4886 C   0  0  0  0  0
   -6.2829    1.2183   14.1262 C   0  0  0  0  0
   -5.6921    2.1799   15.0285 N   0  0  0  0  0
   -5.2102    1.7578   16.2498 C   0  0  0  0  0
   -4.9515    0.5630   16.4447 O   0  0  0  0  0
   -5.0908    2.7390   17.4419 C   0  0  0  0  0
   -3.9554    3.7602   17.3026 C   0  0  0  0  0
   -3.6502    4.4743   18.6041 C   0  0  0  0  0
   -2.8140    3.8877   19.5632 C   0  0  0  0  0
   -2.5723    4.5350   20.7764 C   0  0  0  0  0
   -3.1671    5.7643   21.0343 C   0  0  0  0  0
   -3.9987    6.3646   20.0953 C   0  0  0  0  0
   -4.2374    5.7193   18.8806 C   0  0  0  0  0
   -2.9106    6.3559   22.2359 O   0  0  0  0  0
   -6.4169    3.3528   17.7185 N   0  0  0  0  0
    4.5280    8.9878   12.8334 O   0  0  0  0  0
   11.1252   11.7678    3.6840 C   0  0  0  0  0
   10.5145   11.3956    2.6851 O   0  0  0  0  0
   10.5004   12.2400    4.8189 N   0  0  0  0  0
    9.0517   12.3843    4.9772 C   0  0  0  0  0
    8.3526   12.9736    3.7440 C   0  0  0  0  0
    7.1225   13.8086    4.1075 C   0  0  0  0  0
    6.5887   14.5724    2.8931 C   0  0  0  0  0
    5.5286   15.4805    3.2981 N   0  0  0  0  0
    5.7406   16.6537    3.9351 C   0  0  0  0  0
    6.7996   17.3728    3.9589 N   0  0  0  0  0
    4.6484   17.0635    4.6059 N   0  0  0  0  0
    8.4122   11.0929    5.4881 C   0  0  0  0  0
    8.7955    9.9505    5.2965 O   0  0  0  0  0
    7.3804   11.3663    6.3189 O   0  0  0  0  0
   14.9964   16.6285    4.5429 H   0  0  0  0  0
   13.5773   17.6314    4.8327 H   0  0  0  0  0
   12.7712   16.1277    6.5694 H   0  0  0  0  0
   14.4535   16.5159    6.9133 H   0  0  0  0  0
   13.9221   14.1223    7.2447 H   0  0  0  0  0
   15.1994   14.3695    6.0076 H   0  0  0  0  0
   12.2492   13.9382    5.5070 H   0  0  0  0  0
   14.6242   14.2287    3.5967 H   0  0  0  0  0
   13.3784   16.2020    2.7664 H   0  0  0  0  0
   12.0892   15.9163    3.9347 H   0  0  0  0  0
   11.8133   13.8527    2.6155 H   0  0  0  0  0
   13.3390   13.2835    1.9493 H   0  0  0  0  0
   13.1440   11.2643    3.0942 H   0  0  0  0  0
   15.6422   10.9416    5.9091 H   0  0  0  0  0
   14.4400   12.1433    8.4178 H   0  0  0  0  0
   15.5489   12.8518    7.2181 H   0  0  0  0  0
   16.7770   13.4360    9.3973 H   0  0  0  0  0
   18.8575   12.7891   10.5545 H   0  0  0  0  0
   19.7790   10.5054   10.2861 H   0  0  0  0  0
   18.6099    8.8471    8.8797 H   0  0  0  0  0
   16.7917    9.1620    6.4592 H   0  0  0  0  0
   16.3974    8.1699    7.8602 H   0  0  0  0  0
   12.1549    8.5612    9.0103 H   0  0  0  0  0
   12.0771   11.2913    7.7126 H   0  0  0  0  0
   12.6336   11.0009    9.3789 H   0  0  0  0  0
   10.4283   11.4084    9.3436 H   0  0  0  0  0
   12.4250    8.8605    6.1349 H   0  0  0  0  0
    9.6784    6.2036    7.3223 H   0  0  0  0  0
   11.1004    6.9876    9.8954 H   0  0  0  0  0
   11.8493    5.8115    8.8257 H   0  0  0  0  0
   10.3220    3.5269    8.2558 H   0  0  0  0  0
    8.6454    2.0970    9.7240 H   0  0  0  0  0
    7.7780    3.4848   11.7913 H   0  0  0  0  0
    9.7893    8.9248    8.5147 H   0  0  0  0  0
    7.7803    6.3114    6.7956 H   0  0  0  0  0
    6.4098    7.4236    6.7032 H   0  0  0  0  0
    7.3843    6.1990    9.2601 H   0  0  0  0  0
    5.7408    5.4190   10.6852 H   0  0  0  0  0
    6.4047    8.1102   10.8564 H   0  0  0  0  0
    6.0752    7.0961   12.2589 H   0  0  0  0  0
    4.1361    8.9543   10.8081 H   0  0  0  0  0
    3.2566    6.7566   12.7450 H   0  0  0  0  0
    2.3363    7.5163   11.4243 H   0  0  0  0  0
    3.6537    4.5036    8.6730 H   0  0  0  0  0
    5.0899    3.4730   10.9278 H   0  0  0  0  0
    5.2948    3.0045    9.2302 H   0  0  0  0  0
    4.6872    0.9223   10.2795 H   0  0  0  0  0
    3.5422    1.7382   11.3638 H   0  0  0  0  0
    3.2416    1.3209    8.3498 H   0  0  0  0  0
    2.0656    0.9278    9.6316 H   0  0  0  0  0
    0.5093    4.9554    9.4968 H   0  0  0  0  0
    1.3325    5.0200    6.5405 H   0  0  0  0  0
    2.1748    5.7940    7.8689 H   0  0  0  0  0
    0.1520    7.2809    8.2311 H   0  0  0  0  0
   -0.5746    6.5760    6.7915 H   0  0  0  0  0
    1.5170    7.3103    5.4943 H   0  0  0  0  0
    2.0014    8.2288    6.9178 H   0  0  0  0  0
   -0.4696    8.5544    5.3066 H   0  0  0  0  0
   -0.3218   10.7820    8.4257 H   0  0  0  0  0
   -0.9553   10.7716    5.2318 H   0  0  0  0  0
   -1.3456   11.4708    6.6942 H   0  0  0  0  0
   -1.0331    3.9292    7.1915 H   0  0  0  0  0
   -1.8553    4.2079   10.8168 H   0  0  0  0  0
   -2.0400    7.1720   10.0062 H   0  0  0  0  0
   -0.5314    6.3541   10.2866 H   0  0  0  0  0
   -1.5857    5.7109   12.6491 H   0  0  0  0  0
   -2.6645    7.0619   12.3067 H   0  0  0  0  0
   -0.5713    8.4974   11.9164 H   0  0  0  0  0
    0.3832    7.0753   12.3687 H   0  0  0  0  0
   -1.6399    8.3615   14.0931 H   0  0  0  0  0
    1.6371    7.5872   13.8694 H   0  0  0  0  0
   -0.9465    9.0376   16.1126 H   0  0  0  0  0
    0.5419    9.7675   16.0970 H   0  0  0  0  0
   -4.1344    5.8325    9.7929 H   0  0  0  0  0
   -5.3177    2.5543   11.8379 H   0  0  0  0  0
   -2.3737    2.1664   11.3018 H   0  0  0  0  0
   -3.4058    2.1950    9.8844 H   0  0  0  0  0
   -5.3075    0.5783    9.6372 H   0  0  0  0  0
   -6.0182   -1.7452   10.0712 H   0  0  0  0  0
   -4.9475   -3.0608   11.8824 H   0  0  0  0  0
   -3.1557   -2.0422   13.2619 H   0  0  0  0  0
   -2.4327    0.2792   12.8475 H   0  0  0  0  0
   -3.0148    4.0849   12.8304 H   0  0  0  0  0
   -6.1572    4.2004   15.3652 H   0  0  0  0  0
   -6.9053    3.8935   12.6073 H   0  0  0  0  0
   -7.9460    3.9933   14.0026 H   0  0  0  0  0
   -8.3608    1.7736   14.0578 H   0  0  0  0  0
   -7.6247    1.6400   12.4591 H   0  0  0  0  0
   -6.6151    0.3108   14.6400 H   0  0  0  0  0
   -5.5309    0.9398   13.3919 H   0  0  0  0  0
   -4.8694    2.1048   18.3122 H   0  0  0  0  0
   -4.1947    4.5165   16.5538 H   0  0  0  0  0
   -3.0446    3.2653   16.9418 H   0  0  0  0  0
   -2.3484    2.9232   19.3742 H   0  0  0  0  0
   -1.9242    4.0793   21.5194 H   0  0  0  0  0
   -4.4689    7.3234   20.2879 H   0  0  0  0  0
   -4.8934    6.1868   18.1478 H   0  0  0  0  0
   -3.3923    7.1982   22.2733 H   0  0  0  0  0
   -7.0810    2.5954   17.8875 H   0  0  0  0  0
   -6.3485    3.8581   18.6031 H   0  0  0  0  0
    3.6416    9.2088   13.1851 H   0  0  0  0  0
   11.0317   12.1008    5.6669 H   0  0  0  0  0
    8.9834   13.1053    5.8029 H   0  0  0  0  0
    8.0572   12.1785    3.0490 H   0  0  0  0  0
    9.0543   13.6274    3.2096 H   0  0  0  0  0
    7.3845   14.5180    4.9018 H   0  0  0  0  0
    6.3327   13.1623    4.5091 H   0  0  0  0  0
    6.1837   13.8644    2.1612 H   0  0  0  0  0
    7.3908   15.1199    2.3852 H   0  0  0  0  0
    4.7304   14.9841    3.6815 H   0  0  0  0  0
    7.5146   16.9399    3.3745 H   0  0  0  0  0
    3.8128   17.0553    4.0353 H   0  0  0  0  0
    4.8139   17.9985    4.9677 H   0  0  0  0  0
    7.2262   10.5341    6.8395 H   0  0  0  0  0
  1  2  1  0  0  0
  1  6  1  0  0  0
  1123  1  0  0  0
  1124  1  0  0  0
  2  3  1  0  0  0
  2125  1  0  0  0
  2126  1  0  0  0
  3  4  1  0  0  0
  3127  1  0  0  0
  3128  1  0  0  0
  4  9  1  0  0  0
  4  5  1  0  0  0
  4129  1  0  0  0
  5  7  1  0  0  0
  5  6  1  0  0  0
  5130  1  0  0  0
  6131  1  0  0  0
  6132  1  0  0  0
  7  8  1  0  0  0
  7133  1  0  0  0
  7134  1  0  0  0
  8  9  1  0  0  0
  8109  1  0  0  0
  8135  1  0  0  0
  9 10  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 21  1  0  0  0
 12 13  1  0  0  0
 12136  1  0  0  0
 13 14  1  0  0  0
 13137  1  0  0  0
 13138  1  0  0  0
 14 19  1  0  0  0
 14 15  2  0  0  0
 15 16  1  0  0  0
 15139  1  0  0  0
 16 17  2  0  0  0
 16140  1  0  0  0
 17 18  1  0  0  0
 17141  1  0  0  0
 18 19  2  0  0  0
 18142  1  0  0  0
 19 20  1  0  0  0
 20 21  1  0  0  0
 20143  1  0  0  0
 20144  1  0  0  0
 21 22  1  0  0  0
 22 24  1  0  0  0
 22 23  2  0  0  0
 24 27  1  0  0  0
 24 25  1  0  0  0
 24145  1  0  0  0
 25 26  1  0  0  0
 25146  1  0  0  0
 25147  1  0  0  0
 26148  1  0  0  0
 27 28  1  0  0  0
 27149  1  0  0  0
 28 30  1  0  0  0
 28 29  2  0  0  0
 30 37  1  0  0  0
 30 31  1  0  0  0
 30150  1  0  0  0
 31 32  1  0  0  0
 31151  1  0  0  0
 31152  1  0  0  0
 32 33  2  0  0  0
 32 36  1  0  0  0
 33 34  1  0  0  0
 33153  1  0  0  0
 34 35  2  0  0  0
 34154  1  0  0  0
 35 36  1  0  0  0
 35155  1  0  0  0
 37 38  1  0  0  0
 37156  1  0  0  0
 38 40  1  0  0  0
 38 39  2  0  0  0
 40 41  1  0  0  0
 40157  1  0  0  0
 40158  1  0  0  0
 41 42  1  0  0  0
 41159  1  0  0  0
 42 44  1  0  0  0
 42 43  2  0  0  0
 44 48  1  0  0  0
 44 45  1  0  0  0
 44160  1  0  0  0
 45 46  1  0  0  0
 45161  1  0  0  0
 45162  1  0  0  0
 46 47  1  0  0  0
 46108  1  0  0  0
 46163  1  0  0  0
 47 48  1  0  0  0
 47164  1  0  0  0
 47165  1  0  0  0
 48 49  1  0  0  0
 49 51  1  0  0  0
 49 50  2  0  0  0
 51 55  1  0  0  0
 51 52  1  0  0  0
 51166  1  0  0  0
 52 53  1  0  0  0
 52167  1  0  0  0
 52168  1  0  0  0
 53 54  1  0  0  0
 53169  1  0  0  0
 53170  1  0  0  0
 54 55  1  0  0  0
 54171  1  0  0  0
 54172  1  0  0  0
 55 56  1  0  0  0
 56 58  1  0  0  0
 56 57  2  0  0  0
 58 66  1  0  0  0
 58 59  1  0  0  0
 58173  1  0  0  0
 59 60  1  0  0  0
 59174  1  0  0  0
 59175  1  0  0  0
 60 61  1  0  0  0
 60176  1  0  0  0
 60177  1  0  0  0
 61 62  1  0  0  0
 61178  1  0  0  0
 61179  1  0  0  0
 62 63  1  0  0  0
 62180  1  0  0  0
 63 65  1  0  0  0
 63 64  2  0  0  0
 64181  1  0  0  0
 65182  1  0  0  0
 65183  1  0  0  0
 66 67  1  0  0  0
 66184  1  0  0  0
 67 69  1  0  0  0
 67 68  2  0  0  0
 69 77  1  0  0  0
 69 70  1  0  0  0
 69185  1  0  0  0
 70 71  1  0  0  0
 70186  1  0  0  0
 70187  1  0  0  0
 71 72  1  0  0  0
 71188  1  0  0  0
 71189  1  0  0  0
 72 73  1  0  0  0
 72190  1  0  0  0
 72191  1  0  0  0
 73 74  1  0  0  0
 73192  1  0  0  0
 74 76  1  0  0  0
 74 75  2  0  0  0
 75193  1  0  0  0
 76194  1  0  0  0
 76195  1  0  0  0
 77 78  1  0  0  0
 77196  1  0  0  0
 78 80  1  0  0  0
 78 79  2  0  0  0
 80 88  1  0  0  0
 80 81  1  0  0  0
 80197  1  0  0  0
 81 82  1  0  0  0
 81198  1  0  0  0
 81199  1  0  0  0
 82 83  2  0  0  0
 82 87  1  0  0  0
 83 84  1  0  0  0
 83200  1  0  0  0
 84 85  2  0  0  0
 84201  1  0  0  0
 85 86  1  0  0  0
 85202  1  0  0  0
 86 87  2  0  0  0
 86203  1  0  0  0
 87204  1  0  0  0
 88 89  1  0  0  0
 88205  1  0  0  0
 89 91  1  0  0  0
 89 90  2  0  0  0
 91 95  1  0  0  0
 91 92  1  0  0  0
 91206  1  0  0  0
 92 93  1  0  0  0
 92207  1  0  0  0
 92208  1  0  0  0
 93 94  1  0  0  0
 93209  1  0  0  0
 93210  1  0  0  0
 94 95  1  0  0  0
 94211  1  0  0  0
 94212  1  0  0  0
 95 96  1  0  0  0
 96 98  1  0  0  0
 96 97  2  0  0  0
 98107  1  0  0  0
 98 99  1  0  0  0
 98213  1  0  0  0
 99100  1  0  0  0
 99214  1  0  0  0
 99215  1  0  0  0
100101  2  0  0  0
100105  1  0  0  0
101102  1  0  0  0
101216  1  0  0  0
102103  2  0  0  0
102217  1  0  0  0
103104  1  0  0  0
103106  1  0  0  0
104105  2  0  0  0
104218  1  0  0  0
105219  1  0  0  0
106220  1  0  0  0
107221  1  0  0  0
107222  1  0  0  0
108223  1  0  0  0
109111  1  0  0  0
109110  2  0  0  0
111112  1  0  0  0
111224  1  0  0  0
112120  1  0  0  0
112113  1  0  0  0
112225  1  0  0  0
113114  1  0  0  0
113226  1  0  0  0
113227  1  0  0  0
114115  1  0  0  0
114228  1  0  0  0
114229  1  0  0  0
115116  1  0  0  0
115230  1  0  0  0
115231  1  0  0  0
116117  1  0  0  0
116232  1  0  0  0
117119  1  0  0  0
117118  2  0  0  0
118233  1  0  0  0
119234  1  0  0  0
119235  1  0  0  0
120122  1  0  0  0
120121  2  0  0  0
122236  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3616878

>  <PubChem CID>
122189854

>  <Formula>
C82H114N22O17S

>  <Molecular Weight>
1712.011000

>  <IUPAC Name>


>  <XlogP>
-2.9

>  <Hydrogen Bond Donors>
21

>  <Hydrogen Bond Acceptors>
22

>  <Canonical SMILES>
C1CCC2C(C1)CC(N2C(=O)C3CC4=CC=CC=C4CN3C(=O)C(CO)NC(=O)C(CC5=CC=CS5)NC(=O)CNC(=O)C6CC(CN6C(=O)C7CCCN7C(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC8=CC=CC=C8)NC(=O)C9CCCN9C(=O)C(CC1=CC=C(C=C1)O)N)O)C(=O)NC(CCCNC(=N)N)C(=O)O

>  <Isomeric SMILES>
C1CCC2C(C1)CC(N2C(=O)[C@H]3CC4=CC=CC=C4CN3C(=O)[C@H](CO)NC(=O)C(CC5=CC=CS5)NC(=O)CNC(=O)C6CC(CN6C(=O)[C@@H]7CCCN7C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](CC8=CC=CC=C8)NC(=O)[C@@H]9CCCN9C(=O)[C@H](CC1=CC=C(C=C1)O)N)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

>  <InChI Std. ID>
InChI=1S/C82H114N22O17S/c83-54(36-47-26-28-51(106)29-27-47)74(115)100-33-11-24-62(100)72(113)98-58(37-46-14-2-1-3-15-46)69(110)95-55(20-8-30-90-80(84)85)68(109)96-56(21-9-31-91-81(86)87)75(116)101-34-12-25-63(101)77(118)103-44-52(107)40-64(103)71(112)93-42-67(108)94-59(41-53-19-13-35-122-53)70(111)99-60(45-105)76(117)102-43-50-18-5-4-16-48(50)38-66(102)78(119)104-61-23-7-6-17-49(61)39-65(104)73(114)97-57(79(120)121)22-10-32-92-82(88)89/h1-5,13-16,18-19,26-29,35,49,52,54-66,105-107H,6-12,17,20-25,30-34,36-45,83H2,(H,93,112)(H,94,108)(H,95,110)(H,96,109)(H,97,114)(H,98,113)(H,99,111)(H,120,121)(H4,84,85,90)(H4,86,87,91)(H4,88,89,92)/t49?,52?,54-,55+,56-,57-,58-,59?,60-,61?,62-,63-,64?,65?,66+/m0/s1

>  <InChI Key>
RNRZOTCBHVPTGT-NWFAGNJCSA-N

