
 Galanin (1-29), rat

422429  0  0  0  0  0  0  0  0999 V2000
    9.7054    8.5328    6.4630 C   0  0  0  0  0
    9.7872    7.1208    5.8978 C   0  0  0  0  0
    9.1309    6.9602    4.5026 C   0  0  0  0  0
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    9.0947    5.4491    4.1107 C   0  0  0  0  0
    8.0330    4.7197    4.9693 C   0  0  0  0  0
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    5.7674    5.2634    3.7482 C   0  0  0  0  0
    6.0128    6.6075    3.0783 C   0  0  0  0  0
    4.9622    6.7997    2.0293 C   0  0  0  0  0
    5.0928    6.5333    0.8465 O   0  0  0  0  0
    3.7761    7.1280    2.5703 O   0  0  0  0  0
    5.6985    4.0897    2.7560 C   0  0  0  0  0
    6.6639    3.8491    2.0175 O   0  0  0  0  0
    4.7098    3.1566    2.7794 N   0  0  0  0  0
    3.2552    3.2187    3.0737 C   0  0  0  0  0
    2.8398    3.9027    4.3731 C   0  0  0  0  0
    1.4268    3.5126    4.7450 C   0  0  0  0  0
    0.5246    3.3698    3.9290 O   0  0  0  0  0
    1.1883    3.3989    6.0809 N   0  0  0  0  0
    2.5775    3.8488    1.8420 C   0  0  0  0  0
    2.5273    5.0758    1.6979 O   0  0  0  0  0
    2.1469    3.0863    0.7997 N   0  0  0  0  0
    1.9207    1.6358    0.6507 C   0  0  0  0  0
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    2.9452   -0.6225    0.2313 C   0  0  0  0  0
    3.0772   -1.2529   -0.9869 C   0  0  0  0  0
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    2.4559   -1.5952    1.0733 N   0  0  0  0  0
    0.8828    1.1604    1.6840 C   0  0  0  0  0
    1.2412    0.6085    2.7324 O   0  0  0  0  0
   -0.4479    1.3864    1.5203 N   0  0  0  0  0
   -1.2457    1.6542    0.3138 C   0  0  0  0  0
   -0.9733    3.0260   -0.3150 C   0  0  0  0  0
   -2.1160    3.4657   -1.2380 C   0  0  0  0  0
   -1.8488    4.8454   -1.8364 C   0  0  0  0  0
   -2.9001    5.1813   -2.7901 N   0  0  0  0  0
   -3.9386    5.8152   -2.4033 C   0  0  0  0  0
   -4.2929    6.2485   -1.1740 N   0  0  0  0  0
   -4.8912    6.1506   -3.2997 N   0  0  0  0  0
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   -1.6159   -0.7423   -0.4487 N   0  0  0  0  0
   -2.9221   -1.0618    0.1550 C   0  0  0  0  0
   -3.1304   -0.6659    1.6206 C   0  0  0  0  0
   -3.7380   -1.7211    2.3716 O   0  0  0  0  0
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   -4.0987    0.7937   -0.8419 O   0  0  0  0  0
   -4.6878   -1.1721   -1.6700 N   0  0  0  0  0
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   -4.1821   -3.6510   -1.3732 C   0  0  0  0  0
   -4.5682   -4.9410   -2.0587 C   0  0  0  0  0
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   -5.5149   -7.1738   -1.9809 C   0  0  0  0  0
   -5.1660   -5.9841   -1.3387 C   0  0  0  0  0
   -6.2030   -2.4469   -0.3420 C   0  0  0  0  0
   -5.7721   -2.4330    0.8184 O   0  0  0  0  0
   -7.5242   -2.1537   -0.5054 N   0  0  0  0  0
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   -8.0137   -1.4420   -2.8997 C   0  0  0  0  0
   -9.1800   -0.8524   -3.4752 O   0  0  0  0  0
   -8.4608   -3.7950   -1.9840 C   0  0  0  0  0
   -7.7582   -4.3020   -2.8613 O   0  0  0  0  0
   -9.1335   -4.6585   -1.1571 N   0  0  0  0  0
  -10.4895   -4.4914   -0.5845 C   0  0  0  0  0
  -10.6381   -3.3846    0.4514 C   0  0  0  0  0
  -11.8458   -3.6727    1.2967 C   0  0  0  0  0
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   -8.3360  -11.8091   -1.0497 N   0  0  0  0  0
  -13.0633   -6.9094   -1.0737 C   0  0  0  0  0
  -12.7111   -7.0419    0.1026 O   0  0  0  0  0
  -14.3972   -6.7648   -1.3150 N   0  0  0  0  0
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  -14.8246   -5.8006   -3.6571 C   0  0  0  0  0
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  -16.8948   -4.8712   -4.9897 C   0  0  0  0  0
  -17.5883   -5.2564   -6.1085 N   0  0  0  0  0
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  -15.2627   -8.2285   -3.0893 C   0  0  0  0  0
  -14.4527   -8.6382   -3.9262 O   0  0  0  0  0
  -16.1901   -9.1018   -2.6104 N   0  0  0  0  0
  -17.1304   -8.9083   -1.5172 C   0  0  0  0  0
  -18.2117   -9.9814   -1.5675 C   0  0  0  0  0
  -19.2315   -9.8192   -2.2429 O   0  0  0  0  0
  -18.0481  -11.1936   -0.9730 N   0  0  0  0  0
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  -14.5594  -12.6764   -0.1505 C   0  0  0  0  0
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  -16.3724  -10.0885    1.5415 O   0  0  0  0  0
  -17.8892  -11.6436    2.1334 N   0  0  0  0  0
    8.8934    5.1743    2.6897 N   0  0  0  0  0
    9.9376    5.1011    1.7947 C   0  0  0  0  0
   11.1091    5.3191    2.0979 O   0  0  0  0  0
    9.5223    4.7557    0.3423 C   0  0  0  0  0
    8.7062    5.9022   -0.2387 C   0  0  0  0  0
   10.7593    4.5103   -0.4039 N   0  0  0  0  0
   11.0425    3.9110   -1.5834 C   0  0  0  0  0
   12.2381    3.7558   -1.8590 O   0  0  0  0  0
    9.9813    3.5104   -2.6240 C   0  0  0  0  0
    8.9609    2.5087   -2.0510 C   0  0  0  0  0
    8.2204    1.7745   -3.1231 C   0  0  0  0  0
    8.6330    0.8378   -4.0478 C   0  0  0  0  0
    7.5915    0.4470   -4.8446 N   0  0  0  0  0
    6.5477    1.1108   -4.4089 C   0  0  0  0  0
    6.8744    1.9243   -3.3621 N   0  0  0  0  0
    9.3212    4.6694   -3.2404 N   0  0  0  0  0
    9.8424    5.6326   -4.0542 C   0  0  0  0  0
    9.0338    6.2777   -4.7264 O   0  0  0  0  0
   11.3540    5.9526   -4.0620 C   0  0  0  0  0
   12.1392    4.9510   -4.9128 C   0  0  0  0  0
   12.1487    5.5898   -6.2979 C   0  0  0  0  0
   12.2981    7.0678   -5.9904 C   0  0  0  0  0
   11.6296    7.2478   -4.7148 N   0  0  0  0  0
   11.4612    8.5127   -4.1904 C   0  0  0  0  0
   11.8657    9.5159   -4.7824 O   0  0  0  0  0
   10.7406    8.6185   -2.8390 C   0  0  0  0  0
   10.4667    9.9725   -2.3681 N   0  0  0  0  0
    9.5921   10.9159   -2.8209 C   0  0  0  0  0
    9.3812   11.8697   -2.0628 O   0  0  0  0  0
    8.9737   10.8502   -4.2484 C   0  0  0  0  0
    7.9416    9.7148   -4.3915 C   0  0  0  0  0
    7.3916    9.5166   -5.8257 C   0  0  0  0  0
    8.4871    9.1620   -6.8333 C   0  0  0  0  0
    6.3139    8.4287   -5.8247 C   0  0  0  0  0
    8.3093   12.1214   -4.6011 N   0  0  0  0  0
    8.8080   13.3430   -4.9255 C   0  0  0  0  0
    8.0214   14.1424   -5.4455 O   0  0  0  0  0
   10.2658   13.7420   -4.6010 C   0  0  0  0  0
   11.2424   13.1509   -5.6292 C   0  0  0  0  0
   12.7264   13.5001   -5.3868 C   0  0  0  0  0
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   13.5833   12.9141   -6.5127 C   0  0  0  0  0
   10.3388   15.2126   -4.6483 N   0  0  0  0  0
    9.9799   16.1514   -3.7344 C   0  0  0  0  0
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    6.6014   15.7569    1.7711 C   0  0  0  0  0
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    6.1158   15.9228    3.0345 O   0  0  0  0  0
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   12.6725   14.8676   -0.5532 O   0  0  0  0  0
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   14.6042   24.2646   -1.7540 O   0  0  0  0  0
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M  END

>  <Chemical Name>
Galanin (1-29), rat

>  <PubChem CID>
91898924

>  <Formula>
C137H204N42O39

>  <Molecular Weight>
3063.394000

>  <IUPAC Name>


>  <XlogP>
-13.6

>  <Hydrogen Bond Donors>
44

>  <Hydrogen Bond Acceptors>
45

>  <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)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)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)NC(=O)CN

>  <InChI Std. ID>
InChI=1S/C137H204N42O39/c1-14-70(10)111(135(217)173-98(51-110(193)194)129(211)169-95(48-103(140)185)126(208)167-94(47-79-56-147-65-155-79)125(207)162-84(29-22-36-148-137(143)144)119(201)174-100(61-181)132(214)165-90(42-74-24-16-15-17-25-74)124(206)176-101(62-182)133(215)170-97(50-109(191)192)128(210)161-83(28-20-21-35-138)118(200)166-92(45-77-54-145-63-153-77)117(199)151-58-106(188)158-85(113(142)195)38-66(2)3)177-115(197)72(12)157-120(202)93(46-78-55-146-64-154-78)171-134(216)102-30-23-37-179(102)108(190)59-152-116(198)86(39-67(4)5)163-121(203)87(40-68(6)7)164-123(205)89(43-75-31-33-80(184)34-32-75)160-107(189)57-150-114(196)71(11)156-131(213)99(60-180)175-127(209)96(49-104(141)186)168-122(204)88(41-69(8)9)172-136(218)112(73(13)183)178-130(212)91(159-105(187)52-139)44-76-53-149-82-27-19-18-26-81(76)82/h15-19,24-27,31-34,53-56,63-73,83-102,111-112,149,180-184H,14,20-23,28-30,35-52,57-62,138-139H2,1-13H3,(H2,140,185)(H2,141,186)(H2,142,195)(H,145,153)(H,146,154)(H,147,155)(H,150,196)(H,151,199)(H,152,198)(H,156,213)(H,157,202)(H,158,188)(H,159,187)(H,160,189)(H,161,210)(H,162,207)(H,163,203)(H,164,205)(H,165,214)(H,166,200)(H,167,208)(H,168,204)(H,169,211)(H,170,215)(H,171,216)(H,172,218)(H,173,217)(H,174,201)(H,175,209)(H,176,206)(H,177,197)(H,178,212)(H,191,192)(H,193,194)(H4,143,144,148)

>  <InChI Key>
XHLNFXMYVKWJPE-UHFFFAOYSA-N

