
 Galanin rat

280285  0  0  0  0  0  0  0  0999 V2000
   12.0768   11.9980   -1.9453 C   0  0  0  0  0
   13.1428   12.0309   -0.8586 C   0  0  0  0  0
   12.5681   12.0694    0.5813 C   0  0  0  0  0
   11.7094   10.8364    0.8682 C   0  0  0  0  0
   13.7234   12.3387    1.5975 C   0  0  0  0  0
   14.0230   13.8595    1.5931 C   0  0  0  0  0
   15.0943   14.2626    1.1206 O   0  0  0  0  0
   13.1377   14.8344    1.9460 N   0  0  0  0  0
   12.0267   14.9344    2.9222 C   0  0  0  0  0
   10.9105   13.9012    2.8619 C   0  0  0  0  0
    9.8226   14.3331    3.7994 C   0  0  0  0  0
    9.6931   13.9806    4.9579 O   0  0  0  0  0
    9.0372   15.2804    3.2551 O   0  0  0  0  0
   12.7027   14.9859    4.2938 C   0  0  0  0  0
   13.1331   13.9434    4.7971 O   0  0  0  0  0
   13.0469   16.1549    4.9019 N   0  0  0  0  0
   12.5331   17.5400    4.8154 C   0  0  0  0  0
   12.4385   18.1511    3.4198 C   0  0  0  0  0
   12.4605   19.6542    3.5465 C   0  0  0  0  0
   11.5102   20.2963    3.9813 O   0  0  0  0  0
   13.6234   20.2650    3.1973 N   0  0  0  0  0
   11.1751   17.5878    5.5434 C   0  0  0  0  0
   10.1674   17.0795    5.0428 O   0  0  0  0  0
   11.0628   18.1156    6.7964 N   0  0  0  0  0
   12.0608   18.7163    7.7012 C   0  0  0  0  0
   13.1836   17.7622    8.1371 C   0  0  0  0  0
   13.9270   18.2679    9.3278 C   0  0  0  0  0
   13.7988   18.0297   10.6782 C   0  0  0  0  0
   14.7187   18.7543   11.3903 N   0  0  0  0  0
   15.4061   19.4255   10.4958 C   0  0  0  0  0
   14.9646   19.1666    9.2313 N   0  0  0  0  0
   12.5735   20.0429    7.1044 C   0  0  0  0  0
   13.7564   20.2862    6.8811 O   0  0  0  0  0
   11.6027   20.9748    6.8611 N   0  0  0  0  0
   13.5469   11.8308    2.9561 N   0  0  0  0  0
   14.1050   10.7739    3.6063 C   0  0  0  0  0
   13.9138   10.6981    4.8269 O   0  0  0  0  0
   15.0292    9.7285    2.9496 C   0  0  0  0  0
   14.5472    9.0880    1.6634 C   0  0  0  0  0
   16.3900   10.2399    2.8270 N   0  0  0  0  0
   17.5779    9.7055    3.2270 C   0  0  0  0  0
   18.5848   10.4031    3.0670 O   0  0  0  0  0
   17.6935    8.3521    3.9692 C   0  0  0  0  0
   17.3762    8.5589    5.4660 C   0  0  0  0  0
   17.6225    7.3150    6.2600 C   0  0  0  0  0
   18.7831    6.6477    6.5923 C   0  0  0  0  0
   18.5022    5.4758    7.2480 N   0  0  0  0  0
   17.1987    5.4731    7.4056 C   0  0  0  0  0
   16.6193    6.5648    6.8242 N   0  0  0  0  0
   16.8842    7.2709    3.3893 N   0  0  0  0  0
   17.1555    6.3433    2.4374 C   0  0  0  0  0
   16.2068    5.6426    2.0695 O   0  0  0  0  0
   18.5161    6.2127    1.7322 C   0  0  0  0  0
   18.6389    7.2816    0.6407 C   0  0  0  0  0
   20.1404    7.4628    0.4849 C   0  0  0  0  0
   20.6544    7.3110    1.9056 C   0  0  0  0  0
   19.7368    6.3640    2.5296 N   0  0  0  0  0
   20.2020    5.5074    3.5098 C   0  0  0  0  0
   21.3577    5.5876    3.9340 O   0  0  0  0  0
   19.2811    4.3943    4.0201 C   0  0  0  0  0
   19.4648    3.1733    3.2578 N   0  0  0  0  0
   19.3222    1.8774    3.6449 C   0  0  0  0  0
   19.6104    1.0085    2.8156 O   0  0  0  0  0
   18.9457    1.4740    5.0940 C   0  0  0  0  0
   20.1928    1.6145    5.9903 C   0  0  0  0  0
   20.1032    0.8618    7.3329 C   0  0  0  0  0
   20.2131   -0.6531    7.1493 C   0  0  0  0  0
   21.2218    1.3378    8.2650 C   0  0  0  0  0
   17.8082    2.2265    5.6231 N   0  0  0  0  0
   16.4706    2.1092    5.4566 C   0  0  0  0  0
   15.7958    3.0501    5.9089 O   0  0  0  0  0
   15.7013    0.8831    4.8847 C   0  0  0  0  0
   16.3481   -0.1960    4.0042 C   0  0  0  0  0
   16.8319   -1.4902    4.7027 C   0  0  0  0  0
   15.7058   -2.5163    4.8931 C   0  0  0  0  0
   17.9354   -2.1560    3.8705 C   0  0  0  0  0
   14.9300    0.3263    5.9986 N   0  0  0  0  0
   13.5951    0.2692    6.2422 C   0  0  0  0  0
   13.2437   -0.0930    7.3703 O   0  0  0  0  0
   12.5291    0.6857    5.2124 C   0  0  0  0  0
   12.4277    2.2161    5.1204 C   0  0  0  0  0
   11.0995    2.6505    4.5393 C   0  0  0  0  0
    9.9803    2.8062    5.3717 C   0  0  0  0  0
    8.7421    3.1670    4.8353 C   0  0  0  0  0
    8.6234    3.3697    3.4650 C   0  0  0  0  0
    9.7204    3.2193    2.6258 C   0  0  0  0  0
   10.9580    2.8595    3.1606 C   0  0  0  0  0
    7.4339    3.7187    2.8980 O   0  0  0  0  0
   12.7412    0.0516    3.9066 N   0  0  0  0  0
   12.1895   -1.0901    3.4095 C   0  0  0  0  0
   12.6675   -1.5559    2.3729 O   0  0  0  0  0
   11.0249   -1.7617    4.1483 C   0  0  0  0  0
   10.2331   -2.5489    3.2109 N   0  0  0  0  0
   10.2351   -3.8752    2.9248 C   0  0  0  0  0
    9.7036   -4.2276    1.8667 O   0  0  0  0  0
   10.8609   -4.9367    3.8504 C   0  0  0  0  0
   12.3811   -4.9139    3.7673 C   0  0  0  0  0
   10.3970   -4.8111    5.2345 N   0  0  0  0  0
    9.2313   -5.2329    5.8073 C   0  0  0  0  0
    8.9379   -4.7488    6.9032 O   0  0  0  0  0
    8.3272   -6.2921    5.1439 C   0  0  0  0  0
    7.6766   -5.7548    3.8651 C   0  0  0  0  0
    6.3010   -6.1517    3.8258 O   0  0  0  0  0
    9.1123   -7.5305    4.9696 N   0  0  0  0  0
    8.7517   -8.8072    5.2806 C   0  0  0  0  0
    9.6271   -9.5233    5.7843 O   0  0  0  0  0
    7.3143   -9.3587    5.1437 C   0  0  0  0  0
    6.5467   -9.1211    6.4416 C   0  0  0  0  0
    6.6163  -10.3440    7.3268 C   0  0  0  0  0
    5.6275  -11.0003    7.6335 O   0  0  0  0  0
    7.8493  -10.6798    7.7978 N   0  0  0  0  0
    6.6345   -8.7924    3.9832 N   0  0  0  0  0
    6.6745   -9.1722    2.6750 C   0  0  0  0  0
    6.4014   -8.3181    1.8239 O   0  0  0  0  0
    7.1203  -10.5812    2.2269 C   0  0  0  0  0
    8.6533  -10.7264    2.2848 C   0  0  0  0  0
    9.2122  -11.9970    1.6081 C   0  0  0  0  0
    8.9881  -12.0019    0.0960 C   0  0  0  0  0
   10.7084  -12.1266    1.9084 C   0  0  0  0  0
    6.4415  -11.6436    2.9767 N   0  0  0  0  0
    5.7553  -12.6601    2.3828 C   0  0  0  0  0
    6.1163  -13.8023    2.6936 O   0  0  0  0  0
    4.4684  -12.4551    1.5407 C   0  0  0  0  0
    4.1199  -11.0898    0.9218 C   0  0  0  0  0
    4.5770  -10.8845   -0.5186 C   0  0  0  0  0
    2.6929  -10.9118    0.9909 O   0  0  0  0  0
    4.4247  -13.5539    0.5582 N   0  0  0  0  0
    3.7079  -14.7123    0.5841 C   0  0  0  0  0
    4.1580  -15.6701   -0.0528 O   0  0  0  0  0
    2.3862  -14.8537    1.3636 C   0  0  0  0  0
    2.6446  -15.0810    2.8587 C   0  0  0  0  0
    1.4886  -15.7452    3.5432 C   0  0  0  0  0
    0.4860  -15.1177    4.2555 C   0  0  0  0  0
   -0.3674  -16.0759    4.7312 N   0  0  0  0  0
    0.0544  -17.3250    4.3400 C   0  0  0  0  0
   -0.4995  -18.5850    4.5951 C   0  0  0  0  0
    0.1565  -19.7001    4.0656 C   0  0  0  0  0
    1.3189  -19.5580    3.3118 C   0  0  0  0  0
    1.8601  -18.2907    3.0673 C   0  0  0  0  0
    1.2180  -17.1499    3.5912 C   0  0  0  0  0
    1.5265  -13.6986    1.0769 N   0  0  0  0  0
    0.9101  -13.4952   -0.1338 C   0  0  0  0  0
    0.8219  -12.3397   -0.5548 O   0  0  0  0  0
    0.4027  -14.7060   -0.9234 C   0  0  0  0  0
   -0.6627  -15.3946   -0.1841 N   0  0  0  0  0
   12.5460   12.0746   -2.9316 H   0  0  0  0  0
   11.3800   12.8353   -1.8374 H   0  0  0  0  0
   11.5073   11.0646   -1.9223 H   0  0  0  0  0
   13.7632   12.9193   -1.0276 H   0  0  0  0  0
   13.8003   11.1619   -0.9793 H   0  0  0  0  0
   11.8859   12.9225    0.5963 H   0  0  0  0  0
   12.1994    9.9165    0.5458 H   0  0  0  0  0
   10.7638   10.8979    0.3173 H   0  0  0  0  0
   11.4455   10.7487    1.9252 H   0  0  0  0  0
   14.6372   11.8704    1.2186 H   0  0  0  0  0
   13.6009   15.7223    1.7887 H   0  0  0  0  0
   11.5714   15.8977    2.7091 H   0  0  0  0  0
   11.2084   12.8951    3.1562 H   0  0  0  0  0
   10.4779   13.8326    1.8590 H   0  0  0  0  0
    8.5818   15.6833    4.0298 H   0  0  0  0  0
   13.5177   15.9323    5.7736 H   0  0  0  0  0
   13.2666   18.1238    5.3722 H   0  0  0  0  0
   11.5074   17.9050    2.8991 H   0  0  0  0  0
   13.2737   17.8244    2.7921 H   0  0  0  0  0
   14.4543   19.7776    2.8914 H   0  0  0  0  0
   13.6829   21.2704    3.3074 H   0  0  0  0  0
   10.1268   18.0072    7.1724 H   0  0  0  0  0
   11.4859   18.9945    8.5961 H   0  0  0  0  0
   13.9042   17.5910    7.3316 H   0  0  0  0  0
   12.7548   16.7816    8.3793 H   0  0  0  0  0
   13.0907   17.3820   11.1799 H   0  0  0  0  0
   16.2184   20.1100   10.6998 H   0  0  0  0  0
   15.3016   19.6025    8.3795 H   0  0  0  0  0
   10.6620   20.6583    6.6557 H   0  0  0  0  0
   11.8954   21.7892    6.3340 H   0  0  0  0  0
   13.1692   12.4721    3.6560 H   0  0  0  0  0
   15.0410    8.9260    3.6895 H   0  0  0  0  0
   14.5639    9.7769    0.8186 H   0  0  0  0  0
   13.5341    8.6963    1.7867 H   0  0  0  0  0
   15.1907    8.2506    1.3781 H   0  0  0  0  0
   16.5043   11.1661    2.4277 H   0  0  0  0  0
   18.7401    8.0616    3.8880 H   0  0  0  0  0
   16.3365    8.8810    5.5987 H   0  0  0  0  0
   18.0004    9.3671    5.8685 H   0  0  0  0  0
   19.8043    6.9254    6.3563 H   0  0  0  0  0
   16.6172    4.7117    7.9098 H   0  0  0  0  0
   15.6272    6.7623    6.8115 H   0  0  0  0  0
   15.9417    7.1603    3.7400 H   0  0  0  0  0
   18.5622    5.2110    1.2860 H   0  0  0  0  0
   18.1799    8.2285    0.9428 H   0  0  0  0  0
   18.1598    6.9716   -0.2934 H   0  0  0  0  0
   20.5447    6.6631   -0.1474 H   0  0  0  0  0
   20.4125    8.4229    0.0384 H   0  0  0  0  0
   21.6907    6.9609    1.9309 H   0  0  0  0  0
   20.5880    8.2554    2.4553 H   0  0  0  0  0
   18.2288    4.6708    3.9837 H   0  0  0  0  0
   19.5394    4.2268    5.0637 H   0  0  0  0  0
   19.7735    3.2616    2.2965 H   0  0  0  0  0
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   20.3773    2.6737    6.2006 H   0  0  0  0  0
   21.0776    1.2605    5.4439 H   0  0  0  0  0
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   22.2093    1.1458    7.8312 H   0  0  0  0  0
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   21.1388    2.4133    8.4551 H   0  0  0  0  0
   18.0385    3.1045    6.0837 H   0  0  0  0  0
   15.0018    1.3849    4.2097 H   0  0  0  0  0
   17.1506    0.2580    3.4192 H   0  0  0  0  0
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  1  2  1  0  0  0
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M  END

>  <Chemical Name>
Galanin rat

>  <PubChem CID>
57340017

>  <Formula>
C92H135N27O26

>  <Molecular Weight>
2035.255000

>  <IUPAC Name>


>  <XlogP>
-6.9

>  <Hydrogen Bond Donors>
28

>  <Hydrogen Bond Acceptors>
29

>  <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)N)NC(=O)C(C)NC(=O)C(CC2=CN=CN2)NC(=O)C3CCCN3C(=O)CNC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC4=CC=C(C=C4)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(CC5=CNC6=CC=CC=C65)NC(=O)CN

>  <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)N)NC(=O)C(C)NC(=O)C(CC2=CN=CN2)NC(=O)C3CCCN3C(=O)CNC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC4=CC=C(C=C4)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(CC5=CNC6=CC=CC=C65)NC(=O)CN

>  <InChI Std. ID>
InChI=1S/C92H135N27O26/c1-12-46(8)75(91(144)115-66(33-74(128)129)87(140)112-64(31-69(94)123)85(138)108-57(77(96)130)29-52-36-97-41-102-52)117-79(132)48(10)105-81(134)63(30-53-37-98-42-103-53)113-90(143)68-18-15-23-119(68)73(127)39-101-80(133)58(24-43(2)3)109-82(135)59(25-44(4)5)110-84(137)61(27-50-19-21-54(122)22-20-50)107-72(126)38-100-78(131)47(9)104-89(142)67(40-120)116-86(139)65(32-70(95)124)111-83(136)60(26-45(6)7)114-92(145)76(49(11)121)118-88(141)62(106-71(125)34-93)28-51-35-99-56-17-14-13-16-55(51)56/h13-14,16-17,19-22,35-37,41-49,57-68,75-76,99,120-122H,12,15,18,23-34,38-40,93H2,1-11H3,(H2,94,123)(H2,95,124)(H2,96,130)(H,97,102)(H,98,103)(H,100,131)(H,101,133)(H,104,142)(H,105,134)(H,106,125)(H,107,126)(H,108,138)(H,109,135)(H,110,137)(H,111,136)(H,112,140)(H,113,143)(H,114,145)(H,115,144)(H,116,139)(H,117,132)(H,118,141)(H,128,129)

>  <InChI Key>
HTINXISERLHZAZ-UHFFFAOYSA-N

