
 BAM(8-22)

267273  0  0  0  0  0  0  0  0999 V2000
   -5.8589   -1.9418  -10.2322 C   0  0  0  0  0
   -6.0479   -0.9532   -9.0759 C   0  0  0  0  0
   -6.4600   -1.7439   -7.8249 C   0  0  0  0  0
   -4.7823   -0.0965   -8.8248 C   0  0  0  0  0
   -4.3980    0.7399  -10.0579 C   0  0  0  0  0
   -3.7149    0.2897  -11.0534 N   0  0  0  0  0
   -3.3917    1.2792  -12.1039 C   0  0  0  0  0
   -1.9077    1.1563  -12.4104 C   0  0  0  0  0
   -0.9972    2.0398  -12.5926 N   0  0  0  0  0
   -1.2059    3.4864  -12.3681 C   0  0  0  0  0
   -2.1044    4.0925  -13.4513 C   0  0  0  0  0
   -1.9057    5.6078  -13.5643 C   0  0  0  0  0
   -2.9284    6.2320  -14.5106 C   0  0  0  0  0
   -2.6449    7.6418  -14.7038 N   0  0  0  0  0
   -1.6891    8.1249  -15.5289 C   0  0  0  0  0
   -1.0696    7.5273  -16.4768 N   0  0  0  0  0
   -1.4223    9.4185  -15.2793 N   0  0  0  0  0
   -1.6938    3.7139  -10.9207 C   0  0  0  0  0
   -2.7906    4.2189  -10.6775 O   0  0  0  0  0
   -0.8921    3.2215   -9.9136 N   0  0  0  0  0
   -1.4391    2.9460   -8.6004 C   0  0  0  0  0
   -0.2802    2.3756   -7.7986 C   0  0  0  0  0
    0.6597    1.8295   -8.8690 C   0  0  0  0  0
    0.5237    2.8581   -9.9937 C   0  0  0  0  0
    1.4363    4.0730   -9.7199 C   0  0  0  0  0
    0.9870    5.2315   -9.3922 N   0  0  0  0  0
    1.9250    6.2876   -8.9869 C   0  0  0  0  0
    2.0875    7.3585  -10.0650 C   0  0  0  0  0
    3.1328    8.3998   -9.6646 C   0  0  0  0  0
    3.5927    9.1984  -10.8544 C   0  0  0  0  0
    4.6267    8.9731  -11.4646 O   0  0  0  0  0
    2.7468   10.1944  -11.1970 O   0  0  0  0  0
    1.4151    6.8403   -7.6683 C   0  0  0  0  0
    0.3865    7.4837   -7.2946 N   0  0  0  0  0
   -0.7799    7.9810   -8.0062 C   0  0  0  0  0
   -1.4055    7.0590   -9.0628 C   0  0  0  0  0
   -2.6090    7.6379   -9.7638 C   0  0  0  0  0
   -3.9028    7.1624   -9.6707 C   0  0  0  0  0
   -4.7147    7.9616  -10.4258 N   0  0  0  0  0
   -3.9804    8.9592  -11.0219 C   0  0  0  0  0
   -4.3949   10.0080  -11.8522 C   0  0  0  0  0
   -3.4172   10.8904  -12.3192 C   0  0  0  0  0
   -2.0782   10.7166  -11.9826 C   0  0  0  0  0
   -1.6820    9.6593  -11.1548 C   0  0  0  0  0
   -2.6497    8.7678  -10.6479 C   0  0  0  0  0
   -1.8462    8.2839   -6.9422 C   0  0  0  0  0
   -2.1596    7.7772   -5.8083 N   0  0  0  0  0
   -1.4288    6.7383   -5.0476 C   0  0  0  0  0
   -1.2054    5.3925   -5.7181 C   0  0  0  0  0
   -0.8568    4.3054   -4.7372 C   0  0  0  0  0
    0.4154    3.8374   -4.4551 C   0  0  0  0  0
    0.3208    2.8809   -3.4868 N   0  0  0  0  0
   -0.9978    2.6844   -3.1396 C   0  0  0  0  0
   -1.5611    1.8115   -2.2016 C   0  0  0  0  0
   -2.9497    1.8348   -2.0487 C   0  0  0  0  0
   -3.7394    2.6967   -2.8055 C   0  0  0  0  0
   -3.1608    3.5642   -3.7397 C   0  0  0  0  0
   -1.7592    3.5605   -3.9115 C   0  0  0  0  0
   -0.2752    7.4362   -4.3207 C   0  0  0  0  0
    0.9647    7.0588   -4.2090 N   0  0  0  0  0
    1.7353    7.9466   -3.2988 C   0  0  0  0  0
    1.6626    7.4557   -1.8462 C   0  0  0  0  0
    2.4118    6.1522   -1.5868 C   0  0  0  0  0
    2.0715    5.4584    0.0690 S   0  0  0  0  0
    2.6228    6.8337    1.1115 C   0  0  0  0  0
    3.1666    8.1339   -3.7584 C   0  0  0  0  0
    3.7049    9.2638   -3.5612 N   0  0  0  0  0
    5.0723    9.6637   -3.8568 C   0  0  0  0  0
    5.2322   10.0638   -5.3129 C   0  0  0  0  0
    6.6532   10.4533   -5.5839 C   0  0  0  0  0
    7.6044   10.3111   -4.8382 O   0  0  0  0  0
    6.8057   10.9832   -6.8122 O   0  0  0  0  0
    5.1872   10.8752   -2.9187 C   0  0  0  0  0
    4.5334   11.9674   -3.1461 N   0  0  0  0  0
    4.1459   12.7346   -1.9473 C   0  0  0  0  0
    4.1088   14.2334   -2.2535 C   0  0  0  0  0
    4.0418   15.1863   -1.0709 C   0  0  0  0  0
    3.7373   14.7918    0.2396 C   0  0  0  0  0
    3.7156   15.7209    1.2829 C   0  0  0  0  0
    3.9962   17.0539    1.0271 C   0  0  0  0  0
    4.2904   17.4785   -0.2620 C   0  0  0  0  0
    4.3075   16.5473   -1.3054 C   0  0  0  0  0
    3.9778   17.9179    2.0787 O   0  0  0  0  0
    2.8111   12.1195   -1.4885 C   0  0  0  0  0
    1.6242   12.0506   -1.9671 N   0  0  0  0  0
    1.1456   12.6594   -3.2245 C   0  0  0  0  0
    1.4765   11.7926   -4.4486 C   0  0  0  0  0
    1.2176   12.4971   -5.7895 C   0  0  0  0  0
    2.4600   12.5977   -6.6136 C   0  0  0  0  0
    3.3015   13.5645   -6.6107 N   0  0  0  0  0
    2.7246   11.5719   -7.4212 O   0  0  0  0  0
   -0.3905   12.7193   -3.0692 C   0  0  0  0  0
   -1.1960   13.0646   -4.0107 N   0  0  0  0  0
   -2.6561   12.9791   -3.7200 C   0  0  0  0  0
   -3.0741   11.5017   -3.8976 C   0  0  0  0  0
   -4.4978   11.1941   -3.4384 C   0  0  0  0  0
   -4.8185    9.7027   -3.5850 C   0  0  0  0  0
   -6.1892    9.3710   -2.9965 C   0  0  0  0  0
   -6.4719    7.9490   -3.1548 N   0  0  0  0  0
   -3.3142   13.8369   -4.7919 C   0  0  0  0  0
   -4.2436   14.6914   -4.7622 N   0  0  0  0  0
   -5.1237   15.3022   -3.7816 C   0  0  0  0  0
   -5.4281   14.5166   -2.5211 C   0  0  0  0  0
   -6.5104   15.1988   -1.6757 C   0  0  0  0  0
   -6.8880   14.3645   -0.4518 C   0  0  0  0  0
   -7.8838   15.0677    0.3437 N   0  0  0  0  0
   -9.1847   15.1091   -0.0295 C   0  0  0  0  0
   -9.6658   14.5978   -1.1003 N   0  0  0  0  0
   -9.9270   15.7831    0.8698 N   0  0  0  0  0
   -4.7971   16.7977   -3.7113 C   0  0  0  0  0
   -4.0833   17.5715   -3.0120 N   0  0  0  0  0
   -3.2106   17.5779   -1.8539 C   0  0  0  0  0
   -3.0107   16.2946   -1.0607 C   0  0  0  0  0
   -2.3106   16.5274    0.2662 C   0  0  0  0  0
   -3.0352   17.0246    1.3643 C   0  0  0  0  0
   -2.3982   17.2938    2.5768 C   0  0  0  0  0
   -1.0321   17.0684    2.6925 C   0  0  0  0  0
   -0.2986   16.5755    1.6193 C   0  0  0  0  0
   -0.9353   16.3019    0.4064 C   0  0  0  0  0
   -0.3668   17.3255    3.8548 O   0  0  0  0  0
   -1.8665   18.2012   -2.2398 C   0  0  0  0  0
   -0.9734   17.8850   -3.1099 N   0  0  0  0  0
   -1.2256   16.7572   -4.0232 C   0  0  0  0  0
   -1.0354   17.2760   -5.4448 C   0  0  0  0  0
   -1.5788   16.8327   -6.4424 O   0  0  0  0  0
   -0.1064   18.2611   -5.4888 O   0  0  0  0  0
   -1.5712   19.2776   -1.4844 O   0  0  0  0  0
   -5.4286   17.4504   -4.7201 O   0  0  0  0  0
   -2.7362   13.6345   -6.0043 O   0  0  0  0  0
   -0.8295   12.3557   -1.8451 O   0  0  0  0  0
    2.9608   11.4453   -0.3255 O   0  0  0  0  0
    5.7909   10.6136   -1.7409 O   0  0  0  0  0
    3.8125    7.1005   -4.3002 O   0  0  0  0  0
   -0.7419    8.5804   -3.7396 O   0  0  0  0  0
   -2.6182    9.3294   -7.2999 O   0  0  0  0  0
    2.2286    6.5228   -6.6437 O   0  0  0  0  0
    2.7566    3.8163   -9.8084 O   0  0  0  0  0
   -1.5291   -0.1446  -12.4903 O   0  0  0  0  0
   -4.8360    2.0128   -9.9734 O   0  0  0  0  0
   -4.9981    0.8664   -7.7037 N   0  0  0  0  0
   -5.7271   -1.4221  -11.1858 H   0  0  0  0  0
   -6.7399   -2.5833  -10.3420 H   0  0  0  0  0
   -4.9895   -2.5862  -10.0657 H   0  0  0  0  0
   -6.8802   -0.2895   -9.3467 H   0  0  0  0  0
   -5.6566   -2.4133   -7.4992 H   0  0  0  0  0
   -7.3470   -2.3542   -8.0279 H   0  0  0  0  0
   -6.7127   -1.0849   -6.9889 H   0  0  0  0  0
   -3.9237   -0.7323   -8.5762 H   0  0  0  0  0
   -3.6681    2.3005  -11.8664 H   0  0  0  0  0
   -3.9339    1.0047  -13.0159 H   0  0  0  0  0
   -0.2205    3.9635  -12.4452 H   0  0  0  0  0
   -3.1604    3.8838  -13.2541 H   0  0  0  0  0
   -1.8715    3.6360  -14.4219 H   0  0  0  0  0
   -0.8873    5.8115  -13.9175 H   0  0  0  0  0
   -1.9944    6.0801  -12.5792 H   0  0  0  0  0
   -3.9308    6.1377  -14.0786 H   0  0  0  0  0
   -2.9540    5.7038  -15.4700 H   0  0  0  0  0
   -2.7132    8.1723  -13.8372 H   0  0  0  0  0
   -1.3972    6.5652  -16.5455 H   0  0  0  0  0
   -2.2555    9.9769  -15.1544 H   0  0  0  0  0
   -0.8338    9.7908  -16.0174 H   0  0  0  0  0
   -2.2394    2.2085   -8.7142 H   0  0  0  0  0
   -1.8643    3.8495   -8.1612 H   0  0  0  0  0
    0.2286    3.1751   -7.2531 H   0  0  0  0  0
   -0.5992    1.6181   -7.0782 H   0  0  0  0  0
    1.6792    1.7057   -8.4930 H   0  0  0  0  0
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    2.3842    6.8762  -11.0057 H   0  0  0  0  0
    4.0214    7.9203   -9.2372 H   0  0  0  0  0
    2.7516    9.0807   -8.8963 H   0  0  0  0  0
    1.9656   10.2740  -10.6173 H   0  0  0  0  0
   -0.5010    8.9400   -8.4595 H   0  0  0  0  0
   -1.6808    6.1042   -8.6042 H   0  0  0  0  0
   -0.6931    6.8370   -9.8559 H   0  0  0  0  0
   -4.3065    6.3123   -9.1368 H   0  0  0  0  0
   -5.7118    7.8417  -10.5335 H   0  0  0  0  0
   -5.4385   10.1469  -12.1142 H   0  0  0  0  0
   -3.7087   11.7280  -12.9492 H   0  0  0  0  0
   -1.3312   11.4106  -12.3618 H   0  0  0  0  0
   -0.6355    9.5386  -10.9024 H   0  0  0  0  0
   -2.1188    6.5147   -4.2180 H   0  0  0  0  0
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    2.0827    8.2429   -1.2081 H   0  0  0  0  0
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    2.1189    5.3908   -2.3152 H   0  0  0  0  0
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M  END

>  <Chemical Name>
BAM(8-22)

>  <PubChem CID>
101401182

>  <Formula>
C91H127N25O23S

>  <Molecular Weight>
1971.229000

>  <IUPAC Name>


>  <XlogP>
1.4

>  <Hydrogen Bond Donors>
30

>  <Hydrogen Bond Acceptors>
42

>  <Canonical SMILES>
CC(C)C(C(=NCC(=NC(CCCNC(=N)N)C(=O)N1CCCC1C(=NC(CCC(=O)O)C(=NC(CC2=CNC3=CC=CC=C32)C(=NC(CC4=CNC5=CC=CC=C54)C(=NC(CCSC)C(=NC(CC(=O)O)C(=NC(CC6=CC=C(C=C6)O)C(=NC(CCC(=N)O)C(=NC(CCCCN)C(=NC(CCCNC(=N)N)C(=NC(CC7=CC=C(C=C7)O)C(=NCC(=O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)N

>  <Isomeric SMILES>
CC(C)[C@@H](C(=NCC(=N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=N[C@@H](CCC(=O)O)C(=N[C@@H](CC2=CNC3=CC=CC=C32)C(=N[C@@H](CC4=CNC5=CC=CC=C54)C(=N[C@@H](CCSC)C(=N[C@@H](CC(=O)O)C(=N[C@@H](CC6=CC=C(C=C6)O)C(=N[C@@H](CCC(=N)O)C(=N[C@@H](CCCCN)C(=N[C@@H](CCCNC(=N)N)C(=N[C@@H](CC7=CC=C(C=C7)O)C(=NCC(=O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)N

>  <InChI Std. ID>
InChI=1S/C91H127N25O23S/c1-48(2)76(94)88(138)103-46-72(120)105-64(19-11-36-100-91(97)98)89(139)116-37-12-20-70(116)87(137)110-62(30-32-73(121)122)81(131)113-68(42-52-45-102-58-16-7-5-14-56(52)58)85(135)114-67(41-51-44-101-57-15-6-4-13-55(51)57)84(134)109-63(33-38-140-3)82(132)115-69(43-74(123)124)86(136)112-66(40-50-23-27-54(118)28-24-50)83(133)108-61(29-31-71(93)119)80(130)106-59(17-8-9-34-92)78(128)107-60(18-10-35-99-90(95)96)79(129)111-65(77(127)104-47-75(125)126)39-49-21-25-53(117)26-22-49/h4-7,13-16,21-28,44-45,48,59-70,76,101-102,117-118H,8-12,17-20,29-43,46-47,92,94H2,1-3H3,(H2,93,119)(H,103,138)(H,104,127)(H,105,120)(H,106,130)(H,107,128)(H,108,133)(H,109,134)(H,110,137)(H,111,129)(H,112,136)(H,113,131)(H,114,135)(H,115,132)(H,121,122)(H,123,124)(H,125,126)(H4,95,96,99)(H4,97,98,100)/t59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,76-/m0/s1

>  <InChI Key>
GOEYECACIBFJGZ-NPAGUKBMSA-N

