
 Galanin Porcine 2-29

415422  0  0  0  0  0  0  0  0999 V2000
    2.8572   -3.3939    1.8189 C   0  0  0  0  0
    4.1556   -2.6259    2.0327 C   0  0  0  0  0
    3.9831   -1.3195    2.8425 C   0  0  0  0  0
    3.4395   -1.6203    4.2495 C   0  0  0  0  0
    5.3224   -0.5328    2.9494 C   0  0  0  0  0
    6.0433   -0.3656    1.5966 C   0  0  0  0  0
    7.1711   -0.8472    1.4504 O   0  0  0  0  0
    5.4860    0.3108    0.5585 N   0  0  0  0  0
    4.4075    1.3031    0.5648 C   0  0  0  0  0
    4.9909    2.7132    0.6836 C   0  0  0  0  0
    4.0145    3.6335    1.3531 C   0  0  0  0  0
    2.8688    3.3614    1.6689 O   0  0  0  0  0
    4.5384    4.8502    1.5791 O   0  0  0  0  0
    3.6280    1.1828   -0.7586 C   0  0  0  0  0
    4.0559    0.5736   -1.7371 O   0  0  0  0  0
    2.4316    1.8569   -0.7816 N   0  0  0  0  0
    1.6074    1.9198   -1.9890 C   0  0  0  0  0
    0.7117    0.6930   -2.1151 C   0  0  0  0  0
    0.3390    0.5089   -3.5608 C   0  0  0  0  0
   -0.6980    0.9494   -4.0409 O   0  0  0  0  0
    1.2746   -0.1122   -4.3311 N   0  0  0  0  0
    0.7539    3.1889   -1.8424 C   0  0  0  0  0
    0.1746    3.4489   -0.7840 O   0  0  0  0  0
    0.6605    4.0764   -2.8677 N   0  0  0  0  0
    1.2615    4.0193   -4.2041 C   0  0  0  0  0
    2.7652    4.3442   -4.1961 C   0  0  0  0  0
    3.4703    3.8762   -5.4183 C   0  0  0  0  0
    4.1226    2.7051   -5.7328 C   0  0  0  0  0
    4.6220    2.7538   -7.0077 N   0  0  0  0  0
    4.2886    3.9387   -7.4677 C   0  0  0  0  0
    3.5987    4.6621   -6.5386 N   0  0  0  0  0
    0.4526    4.9237   -5.1574 C   0  0  0  0  0
    0.4243    4.7376   -6.3758 O   0  0  0  0  0
   -0.2622    6.0055   -4.6821 N   0  0  0  0  0
    0.3822    7.2921   -4.3088 C   0  0  0  0  0
    1.0508    7.2861   -2.9305 C   0  0  0  0  0
    1.3820    8.6953   -2.4298 C   0  0  0  0  0
    1.9791    8.6497   -1.0233 C   0  0  0  0  0
    2.3123    9.9962   -0.5753 N   0  0  0  0  0
    1.4217   10.7290   -0.0263 C   0  0  0  0  0
    0.1207   10.4825    0.2390 N   0  0  0  0  0
    1.7373   11.9805    0.3706 N   0  0  0  0  0
    1.3026    7.7098   -5.4780 C   0  0  0  0  0
    2.4556    7.2729   -5.5742 O   0  0  0  0  0
    0.8265    8.3896   -6.5572 N   0  0  0  0  0
   -0.3221    9.2945   -6.7353 C   0  0  0  0  0
   -1.7132    8.7430   -6.4063 C   0  0  0  0  0
   -2.7090    9.4596   -7.1379 O   0  0  0  0  0
   -0.0286   10.5702   -5.9365 C   0  0  0  0  0
   -0.0785   10.5629   -4.7024 O   0  0  0  0  0
    0.4120   11.7104   -6.5389 N   0  0  0  0  0
    0.7045   12.0193   -7.9526 C   0  0  0  0  0
    1.8603   11.1678   -8.5106 C   0  0  0  0  0
    2.6061   11.8479   -9.6358 C   0  0  0  0  0
    3.7121   12.6649   -9.3638 C   0  0  0  0  0
    4.3936   13.3011  -10.4027 C   0  0  0  0  0
    3.9750   13.1310  -11.7207 C   0  0  0  0  0
    2.8738   12.3251  -12.0014 C   0  0  0  0  0
    2.1921   11.6864  -10.9646 C   0  0  0  0  0
   -0.5953   11.9110   -8.7767 C   0  0  0  0  0
   -0.7795   10.9995   -9.5888 O   0  0  0  0  0
   -1.6457   12.7615   -8.5650 N   0  0  0  0  0
   -1.6164   14.2066   -8.2830 C   0  0  0  0  0
   -0.9346   14.6730   -6.9958 C   0  0  0  0  0
   -1.6083   15.8053   -6.4373 O   0  0  0  0  0
   -0.9818   14.8433   -9.5225 C   0  0  0  0  0
    0.2211   14.7087   -9.7648 O   0  0  0  0  0
   -1.7507   15.3899  -10.5119 N   0  0  0  0  0
   -2.8225   16.3974  -10.3565 C   0  0  0  0  0
   -4.0624   15.9452   -9.5986 C   0  0  0  0  0
   -5.2227   16.7847  -10.0426 C   0  0  0  0  0
   -5.2858   17.9992   -9.9793 O   0  0  0  0  0
   -6.2371   16.0583  -10.5425 O   0  0  0  0  0
   -2.1530   17.6095   -9.6850 C   0  0  0  0  0
   -1.8723   17.5739   -8.4796 O   0  0  0  0  0
   -1.6924   18.6722  -10.3983 N   0  0  0  0  0
   -1.6930   18.9864  -11.8399 C   0  0  0  0  0
   -0.9772   17.9026  -12.6620 C   0  0  0  0  0
   -0.5479   18.3694  -14.0557 C   0  0  0  0  0
    0.1907   17.2388  -14.7851 C   0  0  0  0  0
    0.5956   17.6393  -16.2002 C   0  0  0  0  0
    1.3453   16.5678  -16.8420 N   0  0  0  0  0
   -3.1321   19.2727  -12.3157 C   0  0  0  0  0
   -3.8171   18.3885  -12.8391 O   0  0  0  0  0
   -3.7366   20.4744  -12.1031 N   0  0  0  0  0
   -3.2448   21.7823  -11.6450 C   0  0  0  0  0
   -2.5704   21.8077  -10.2626 C   0  0  0  0  0
   -2.3496   23.2045   -9.7764 C   0  0  0  0  0
   -3.0512   24.0196   -8.9160 C   0  0  0  0  0
   -2.4592   25.2526   -8.8228 N   0  0  0  0  0
   -1.4056   25.1979   -9.6038 C   0  0  0  0  0
   -1.2833   23.9720  -10.1889 N   0  0  0  0  0
   -2.3384   22.4005  -12.7292 C   0  0  0  0  0
   -1.1067   22.3461  -12.6582 O   0  0  0  0  0
   -2.8889   22.9844  -13.8276 N   0  0  0  0  0
   -4.2912   23.0782  -14.2061 C   0  0  0  0  0
   -4.4797   24.2668  -15.1425 C   0  0  0  0  0
   -4.6856   25.3969  -14.6912 O   0  0  0  0  0
   -4.3050   24.1610  -16.4872 N   0  0  0  0  0
   -4.0996   23.0106  -17.3739 C   0  0  0  0  0
   -2.8723   22.1558  -17.0433 C   0  0  0  0  0
   -2.5207   21.1092  -18.1224 C   0  0  0  0  0
   -2.1895   21.7246  -19.4810 C   0  0  0  0  0
   -1.3361   20.2714  -17.6452 C   0  0  0  0  0
   -5.4017   22.1971  -17.4550 C   0  0  0  0  0
   -5.7191   21.3333  -16.6439 O   0  0  0  0  0
   -6.2715   22.5795  -18.4357 N   0  0  0  0  0
    5.1514    0.7733    3.5945 N   0  0  0  0  0
    6.0293    1.5323    4.3031 C   0  0  0  0  0
    5.5588    2.5164    4.8910 O   0  0  0  0  0
    7.5533    1.2581    4.3781 C   0  0  0  0  0
    7.9071   -0.0440    5.0821 C   0  0  0  0  0
    8.2102    1.3532    3.0740 N   0  0  0  0  0
    8.7304    2.4357    2.4264 C   0  0  0  0  0
    8.9608    2.3244    1.2194 O   0  0  0  0  0
    8.9550    3.7942    3.1230 C   0  0  0  0  0
    7.6095    4.5534    3.1560 C   0  0  0  0  0
    7.3974    5.4380    4.3327 C   0  0  0  0  0
    7.9385    6.6500    4.7009 C   0  0  0  0  0
    7.4272    7.0629    5.9023 N   0  0  0  0  0
    6.5626    6.1399    6.2545 C   0  0  0  0  0
    6.5007    5.1366    5.3322 N   0  0  0  0  0
    9.6400    3.6487    4.4143 N   0  0  0  0  0
   10.9454    3.3310    4.6640 C   0  0  0  0  0
   11.3424    3.4409    5.8261 O   0  0  0  0  0
   11.8534    2.7762    3.5410 C   0  0  0  0  0
   12.3258    3.8875    2.5941 C   0  0  0  0  0
   13.6754    4.3061    3.1658 C   0  0  0  0  0
   14.2620    2.9940    3.6430 C   0  0  0  0  0
   13.1143    2.2142    4.0677 N   0  0  0  0  0
   13.2998    1.0299    4.7487 C   0  0  0  0  0
   14.4255    0.6031    5.0165 O   0  0  0  0  0
   12.0485    0.2847    5.2231 C   0  0  0  0  0
   12.3603   -0.9339    5.9610 N   0  0  0  0  0
   12.8755   -1.0710    7.2180 C   0  0  0  0  0
   13.1542   -2.2111    7.5989 O   0  0  0  0  0
   13.0937    0.1592    8.1325 C   0  0  0  0  0
   11.7408    0.6627    8.6758 C   0  0  0  0  0
   11.8267    1.8038    9.7137 C   0  0  0  0  0
   12.6071    3.0157    9.2066 C   0  0  0  0  0
   10.4146    2.2309   10.1247 C   0  0  0  0  0
   13.9492   -0.2270    9.2696 N   0  0  0  0  0
   15.2871   -0.4250    9.3902 C   0  0  0  0  0
   15.6759   -0.8593   10.4828 O   0  0  0  0  0
   16.2818   -0.1730    8.2248 C   0  0  0  0  0
   16.3588    1.3332    7.8811 C   0  0  0  0  0
   17.5638    1.7987    7.0278 C   0  0  0  0  0
   17.6832    1.0616    5.6956 C   0  0  0  0  0
   17.4702    3.3082    6.7816 C   0  0  0  0  0
   17.6197   -0.6355    8.6522 N   0  0  0  0  0
   18.1442   -1.8604    8.9010 C   0  0  0  0  0
   19.3318   -1.8801    9.2502 O   0  0  0  0  0
   17.3119   -3.1604    8.8291 C   0  0  0  0  0
   17.0172   -3.5843    7.3836 C   0  0  0  0  0
   16.2905   -4.9133    7.3165 C   0  0  0  0  0
   14.9771   -5.0308    7.7935 C   0  0  0  0  0
   14.3238   -6.2635    7.7844 C   0  0  0  0  0
   14.9813   -7.3860    7.3013 C   0  0  0  0  0
   16.2812   -7.2936    6.8157 C   0  0  0  0  0
   16.9338   -6.0571    6.8213 C   0  0  0  0  0
   14.3119   -8.5734    7.3253 O   0  0  0  0  0
   18.1111   -4.2017    9.5170 N   0  0  0  0  0
   18.2215   -4.3917   10.8653 C   0  0  0  0  0
   19.1625   -5.0617   11.2994 O   0  0  0  0  0
   17.1939   -3.7109   11.7778 C   0  0  0  0  0
   17.4005   -3.9939   13.1917 N   0  0  0  0  0
   18.3423   -3.4801   14.0342 C   0  0  0  0  0
   18.3509   -3.8573   15.2078 O   0  0  0  0  0
   19.3792   -2.4684   13.5007 C   0  0  0  0  0
   18.7836   -1.0653   13.4403 C   0  0  0  0  0
   20.5594   -2.4451   14.3803 N   0  0  0  0  0
   21.5450   -3.3779   14.5365 C   0  0  0  0  0
   22.3206   -3.2103   15.4814 O   0  0  0  0  0
   21.6317   -4.5917   13.5935 C   0  0  0  0  0
   22.1111   -4.1182   12.2089 C   0  0  0  0  0
   21.9060   -5.1591   11.2482 O   0  0  0  0  0
   22.5363   -5.6968   14.0003 N   0  0  0  0  0
   22.3055   -6.5838   15.0127 C   0  0  0  0  0
   22.2552   -7.7866   14.7403 O   0  0  0  0  0
   22.2468   -6.1026   16.4747 C   0  0  0  0  0
   20.8035   -5.9143   16.9081 C   0  0  0  0  0
   20.7273   -5.0524   18.1413 C   0  0  0  0  0
   20.4582   -5.4943   19.2523 O   0  0  0  0  0
   21.0125   -3.7320   17.9778 N   0  0  0  0  0
   22.9220   -7.1538   17.2666 N   0  0  0  0  0
   24.2381   -7.0938   17.6470 C   0  0  0  0  0
   24.9984   -7.9973   17.2912 O   0  0  0  0  0
   24.7328   -5.9909   18.6179 C   0  0  0  0  0
   24.7669   -4.5842   18.0120 C   0  0  0  0  0
   25.7937   -3.6305   18.6599 C   0  0  0  0  0
   27.2382   -4.0335   18.3513 C   0  0  0  0  0
   25.5528   -2.2029   18.1569 C   0  0  0  0  0
   23.9217   -6.0514   19.8343 N   0  0  0  0  0
   24.0878   -6.8322   20.9431 C   0  0  0  0  0
   23.0991   -6.9920   21.6671 O   0  0  0  0  0
   25.4469   -7.4491   21.3552 C   0  0  0  0  0
   25.9402   -8.5975   20.4412 C   0  0  0  0  0
   27.3015   -8.3995   19.7770 C   0  0  0  0  0
   26.0465   -9.7951   21.2447 O   0  0  0  0  0
   26.4040   -6.3804   21.6406 N   0  0  0  0  0
   27.1903   -6.1742   22.7370 C   0  0  0  0  0
   27.7241   -5.0617   22.8291 O   0  0  0  0  0
   27.4031   -7.2354   23.8430 C   0  0  0  0  0
   26.1995   -7.3116   24.8028 C   0  0  0  0  0
   26.3656   -8.3172   25.9079 C   0  0  0  0  0
   25.9960   -9.6488   25.8564 C   0  0  0  0  0
   26.3081  -10.2308   27.0540 N   0  0  0  0  0
   26.8632   -9.3029   27.9029 C   0  0  0  0  0
   27.3162   -9.4457   29.2201 C   0  0  0  0  0
   27.8305   -8.3118   29.8546 C   0  0  0  0  0
   27.8918   -7.0872   29.1941 C   0  0  0  0  0
   27.4396   -6.9636   27.8747 C   0  0  0  0  0
   26.9119   -8.0908   27.2123 C   0  0  0  0  0
   27.8512   -8.5230   23.2646 N   0  0  0  0  0
    3.0257   -4.2281    1.1300 H   0  0  0  0  0
    2.0859   -2.7492    1.3857 H   0  0  0  0  0
    2.4774   -3.8143    2.7542 H   0  0  0  0  0
    4.5577   -2.3968    1.0397 H   0  0  0  0  0
    4.8844   -3.2801    2.5262 H   0  0  0  0  0
    3.2314   -0.7069    2.3339 H   0  0  0  0  0
    4.1034   -2.3029    4.7907 H   0  0  0  0  0
    2.4461   -2.0766    4.2031 H   0  0  0  0  0
    3.3360   -0.7076    4.8446 H   0  0  0  0  0
    5.9885   -1.1221    3.5839 H   0  0  0  0  0
    6.0431    0.2756   -0.2931 H   0  0  0  0  0
    3.7226    1.0749    1.3806 H   0  0  0  0  0
    5.2457    3.1258   -0.2992 H   0  0  0  0  0
    5.8962    2.6941    1.2969 H   0  0  0  0  0
    3.8237    5.3864    1.9870 H   0  0  0  0  0
    2.0578    2.3036    0.0602 H   0  0  0  0  0
    2.2863    1.9945   -2.8398 H   0  0  0  0  0
   -0.2056    0.7786   -1.5214 H   0  0  0  0  0
    1.2239   -0.2151   -1.7740 H   0  0  0  0  0
    2.1530   -0.4674   -3.9714 H   0  0  0  0  0
    1.0806   -0.2329   -5.3185 H   0  0  0  0  0
   -0.0193    4.8107   -2.7052 H   0  0  0  0  0
    1.1071    2.9967   -4.5643 H   0  0  0  0  0
    3.2522    3.8872   -3.3267 H   0  0  0  0  0
    2.9471    5.4119   -4.0840 H   0  0  0  0  0
    4.2623    1.8300   -5.1110 H   0  0  0  0  0
    4.5167    4.3268   -8.4511 H   0  0  0  0  0
    3.2382    5.6051   -6.6503 H   0  0  0  0  0
   -0.9211    6.1989   -5.4269 H   0  0  0  0  0
   -0.4434    7.9985   -4.2369 H   0  0  0  0  0
    1.9658    6.6966   -2.9210 H   0  0  0  0  0
    0.3673    6.8268   -2.2064 H   0  0  0  0  0
    0.4705    9.3036   -2.4196 H   0  0  0  0  0
    2.0861    9.1845   -3.1134 H   0  0  0  0  0
    2.9050    8.0627   -1.0397 H   0  0  0  0  0
    1.3124    8.1342   -0.3224 H   0  0  0  0  0
   -0.1558    9.5125    0.1845 H   0  0  0  0  0
   -0.1871   10.9082    1.1054 H   0  0  0  0  0
    2.6614   12.2232    0.0261 H   0  0  0  0  0
    1.0556   12.6617    0.0587 H   0  0  0  0  0
    1.5597    8.5060   -7.2468 H   0  0  0  0  0
   -0.3178    9.5138   -7.7991 H   0  0  0  0  0
   -1.9714    8.8315   -5.3489 H   0  0  0  0  0
   -1.7870    7.6948   -6.7093 H   0  0  0  0  0
   -3.5651    9.0295   -6.9650 H   0  0  0  0  0
    0.6525   12.4230   -5.8596 H   0  0  0  0  0
    1.0232   13.0645   -7.9540 H   0  0  0  0  0
    1.5175   10.1895   -8.8650 H   0  0  0  0  0
    2.5799   10.9490   -7.7099 H   0  0  0  0  0
    4.0534   12.8116   -8.3417 H   0  0  0  0  0
    5.2512   13.9316  -10.1838 H   0  0  0  0  0
    4.5055   13.6278  -12.5283 H   0  0  0  0  0
    2.5417   12.1940  -13.0280 H   0  0  0  0  0
    1.3320   11.0634  -11.2039 H   0  0  0  0  0
   -2.4114   12.4797   -9.1674 H   0  0  0  0  0
   -2.6671   14.4708   -8.2148 H   0  0  0  0  0
    0.1158   14.9454   -7.1323 H   0  0  0  0  0
   -0.9980   13.8978   -6.2297 H   0  0  0  0  0
   -1.5427   16.5547   -7.0708 H   0  0  0  0  0
   -1.1366   15.5823  -11.2955 H   0  0  0  0  0
   -3.1188   16.6396  -11.3743 H   0  0  0  0  0
   -3.9867   16.0625   -8.5132 H   0  0  0  0  0
   -4.2823   14.8936   -9.8162 H   0  0  0  0  0
   -6.9033   16.7210  -10.8245 H   0  0  0  0  0
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214415  1  0  0  0
M  END

>  <Chemical Name>
Galanin Porcine 2-29

>  <PubChem CID>
91898914

>  <Formula>
C135H201N41O38

>  <Molecular Weight>
3006.342000

>  <IUPAC Name>


>  <XlogP>
-13.0

>  <Hydrogen Bond Donors>
43

>  <Hydrogen Bond Acceptors>
44

>  <Canonical SMILES>
CCC(C)C(C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)N)C(=O)NC(CC1=CN=CN1)C(=O)NC(CCCN=C(N)N)C(=O)NC(CO)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CO)C(=O)NC(CC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CC3=CN=CN3)C(=O)NCC(=O)NC(CC(C)C)C(=O)N)NC(=O)C(C)NC(=O)C(CC4=CN=CN4)NC(=O)C5CCCN5C(=O)CNC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC6=CC=C(C=C6)O)NC(=O)CNC(=O)C(C)NC(=O)C(CO)NC(=O)C(CC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(C(C)O)NC(=O)C(CC7=CNC8=CC=CC=C87)N

>  <Isomeric SMILES>
CCC(C)C(C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)N)C(=O)NC(CC1=CN=CN1)C(=O)NC(CCCN=C(N)N)C(=O)NC(CO)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CO)C(=O)NC(CC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CC3=CN=CN3)C(=O)NCC(=O)NC(CC(C)C)C(=O)N)NC(=O)C(C)NC(=O)C(CC4=CN=CN4)NC(=O)C5CCCN5C(=O)CNC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC6=CC=C(C=C6)O)NC(=O)CNC(=O)C(C)NC(=O)C(CO)NC(=O)C(CC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(C(C)O)NC(=O)C(CC7=CNC8=CC=CC=C87)N

>  <InChI Std. ID>
InChI=1S/C135H201N41O38/c1-14-69(10)109(133(213)170-97(51-108(189)190)128(208)166-94(48-102(138)182)125(205)164-93(47-78-55-145-64-153-78)124(204)159-84(29-22-36-146-135(141)142)118(198)171-99(60-178)130(210)162-90(42-73-24-16-15-17-25-73)123(203)173-100(61-179)131(211)167-96(50-107(187)188)127(207)158-83(28-20-21-35-136)117(197)163-91(45-76-53-143-62-151-76)116(196)149-57-104(184)156-85(111(140)191)38-65(2)3)174-113(193)71(12)155-119(199)92(46-77-54-144-63-152-77)168-132(212)101-30-23-37-176(101)106(186)58-150-115(195)86(39-66(4)5)160-120(200)87(40-67(6)7)161-122(202)89(43-74-31-33-79(181)34-32-74)157-105(185)56-148-112(192)70(11)154-129(209)98(59-177)172-126(206)95(49-103(139)183)165-121(201)88(41-68(8)9)169-134(214)110(72(13)180)175-114(194)81(137)44-75-52-147-82-27-19-18-26-80(75)82/h15-19,24-27,31-34,52-55,62-72,81,83-101,109-110,147,177-181H,14,20-23,28-30,35-51,56-61,136-137H2,1-13H3,(H2,138,182)(H2,139,183)(H2,140,191)(H,143,151)(H,144,152)(H,145,153)(H,148,192)(H,149,196)(H,150,195)(H,154,209)(H,155,199)(H,156,184)(H,157,185)(H,158,207)(H,159,204)(H,160,200)(H,161,202)(H,162,210)(H,163,197)(H,164,205)(H,165,201)(H,166,208)(H,167,211)(H,168,212)(H,169,214)(H,170,213)(H,171,198)(H,172,206)(H,173,203)(H,174,193)(H,175,194)(H,187,188)(H,189,190)(H4,141,142,146)

>  <InChI Key>
WGWNRQMTUPJGCW-UHFFFAOYSA-N

