
 Galanin (1-15)

216220  0  0  0  0  0  0  0  0999 V2000
    3.2928    1.9221    5.3179 C   0  0  0  0  0
    4.4884    2.0070    4.3645 C   0  0  0  0  0
    5.5142    0.9341    4.7348 C   0  0  0  0  0
    3.9988    1.8775    2.9038 C   0  0  0  0  0
    5.1000    2.0844    1.8484 C   0  0  0  0  0
    5.6545    0.7594    1.2880 C   0  0  0  0  0
    6.8158    0.4411    1.5787 O   0  0  0  0  0
    4.9652   -0.1364    0.5396 N   0  0  0  0  0
    3.7413   -0.0917   -0.2809 C   0  0  0  0  0
    2.4590    0.3246    0.4563 C   0  0  0  0  0
    1.1521    0.1581   -0.3540 C   0  0  0  0  0
    0.7443   -1.3056   -0.5132 C   0  0  0  0  0
    0.0144    0.9154    0.3399 C   0  0  0  0  0
    4.0412    0.7783   -1.5166 C   0  0  0  0  0
    3.6572    1.9486   -1.5750 O   0  0  0  0  0
    4.8224    0.3038   -2.5339 N   0  0  0  0  0
    5.1409   -1.0910   -2.8289 C   0  0  0  0  0
    3.8603   -1.7651   -3.3135 C   0  0  0  0  0
    3.2409   -2.5230   -2.5655 O   0  0  0  0  0
    3.3346   -1.3423   -4.5132 N   0  0  0  0  0
    1.9442   -1.6011   -4.8248 C   0  0  0  0  0
    1.6949   -0.8554   -6.1280 C   0  0  0  0  0
    3.0035   -0.1142   -6.4113 C   0  0  0  0  0
    4.0730   -0.9314   -5.7216 C   0  0  0  0  0
    4.6016   -2.2524   -6.3478 C   0  0  0  0  0
    5.0300   -3.1417   -5.5916 O   0  0  0  0  0
    4.7969   -2.5422   -7.6464 N   0  0  0  0  0
    4.4577   -2.0049   -8.9716 C   0  0  0  0  0
    2.9489   -2.0140   -9.2730 C   0  0  0  0  0
    2.6459   -2.0892  -10.7307 C   0  0  0  0  0
    2.3422   -3.1441  -11.5623 C   0  0  0  0  0
    2.1101   -2.7054  -12.8390 N   0  0  0  0  0
    2.2662   -1.4027  -12.7953 C   0  0  0  0  0
    2.5976   -0.9795  -11.5406 N   0  0  0  0  0
    5.1513   -0.6667   -9.2786 C   0  0  0  0  0
    4.5007    0.3632   -9.4889 O   0  0  0  0  0
    6.5078   -0.5533   -9.3620 N   0  0  0  0  0
    7.5747   -1.5428   -9.5774 C   0  0  0  0  0
    7.7351   -2.6130   -8.5116 C   0  0  0  0  0
    7.4653   -2.1637  -10.9701 C   0  0  0  0  0
    6.6137   -2.9536  -11.3468 O   0  0  0  0  0
    8.3741   -1.6755  -11.8380 O   0  0  0  0  0
    4.7131    3.0319    0.8019 N   0  0  0  0  0
    5.3140    4.1832    0.3859 C   0  0  0  0  0
    4.8533    4.7588   -0.6046 O   0  0  0  0  0
    6.5619    4.7614    1.0769 C   0  0  0  0  0
    6.3591    5.0489    2.5727 C   0  0  0  0  0
    6.6296    6.5060    2.8820 C   0  0  0  0  0
    5.6170    7.4593    2.6939 C   0  0  0  0  0
    5.8763    8.8133    2.9032 C   0  0  0  0  0
    7.1464    9.2186    3.2926 C   0  0  0  0  0
    8.1619    8.2887    3.4913 C   0  0  0  0  0
    7.9028    6.9311    3.2862 C   0  0  0  0  0
    7.3585   10.5539    3.4639 O   0  0  0  0  0
    7.7057    3.8857    0.7875 N   0  0  0  0  0
    8.5449    4.0114   -0.2882 C   0  0  0  0  0
    9.1447    3.0153   -0.6930 O   0  0  0  0  0
    8.8737    5.4043   -0.8289 C   0  0  0  0  0
    9.8406    6.0086    0.0763 N   0  0  0  0  0
   10.8395    6.8987   -0.1478 C   0  0  0  0  0
   11.6022    7.1522    0.7890 O   0  0  0  0  0
   11.0733    7.5469   -1.5267 C   0  0  0  0  0
   11.7366    6.5790   -2.4976 C   0  0  0  0  0
    9.8383    8.1061   -2.0699 N   0  0  0  0  0
    9.2381    9.3038   -1.8113 C   0  0  0  0  0
    8.0957    9.4635   -2.2529 O   0  0  0  0  0
    9.9906   10.4841   -1.1637 C   0  0  0  0  0
   10.6021   10.2224    0.2134 C   0  0  0  0  0
   10.6494   11.4468    0.9560 O   0  0  0  0  0
   10.9608   10.9732   -2.1576 N   0  0  0  0  0
   10.8611   12.1158   -2.9032 C   0  0  0  0  0
   11.1975   12.0496   -4.0875 O   0  0  0  0  0
   10.3193   13.4360   -2.3078 C   0  0  0  0  0
    8.7965   13.4976   -2.4022 C   0  0  0  0  0
    8.4186   14.2760   -3.6395 C   0  0  0  0  0
    8.8364   15.4056   -3.8719 O   0  0  0  0  0
    7.5663   13.6468   -4.4937 N   0  0  0  0  0
   10.8164   13.5822   -0.9334 N   0  0  0  0  0
   12.1124   13.8969   -0.6085 C   0  0  0  0  0
   12.6735   13.2013    0.2445 O   0  0  0  0  0
   12.8612   15.0673   -1.3065 C   0  0  0  0  0
   13.3760   14.6918   -2.7055 C   0  0  0  0  0
   14.5830   15.5227   -3.1863 C   0  0  0  0  0
   15.8629   15.1903   -2.4174 C   0  0  0  0  0
   14.8158   15.2862   -4.6823 C   0  0  0  0  0
   11.9812   16.2453   -1.3255 N   0  0  0  0  0
   11.7616   16.9556   -0.1664 C   0  0  0  0  0
   10.6426   16.9063    0.3438 O   0  0  0  0  0
   12.8886   17.8202    0.4410 C   0  0  0  0  0
   13.3144   17.3670    1.8518 C   0  0  0  0  0
   14.3414   16.2460    1.9158 C   0  0  0  0  0
   13.8366   18.5048    2.5559 O   0  0  0  0  0
   14.0118   18.0760   -0.4665 N   0  0  0  0  0
   14.2589   19.1572   -1.2597 C   0  0  0  0  0
   15.0327   18.9917   -2.2080 O   0  0  0  0  0
   13.6386   20.5444   -1.0018 C   0  0  0  0  0
   12.1501   20.6042   -1.3699 C   0  0  0  0  0
   11.6358   22.0108   -1.4294 C   0  0  0  0  0
   11.0530   22.7083   -0.3894 C   0  0  0  0  0
   10.7273   23.9587   -0.8384 N   0  0  0  0  0
   11.0821   24.0954   -2.1598 C   0  0  0  0  0
   10.9366   25.1883   -3.0219 C   0  0  0  0  0
   11.3926   25.0421   -4.3348 C   0  0  0  0  0
   11.9715   23.8505   -4.7647 C   0  0  0  0  0
   12.1098   22.7673   -3.8890 C   0  0  0  0  0
   11.6555   22.8880   -2.5597 C   0  0  0  0  0
   13.9396   20.9420    0.3786 N   0  0  0  0  0
   15.1241   21.4849    0.8071 C   0  0  0  0  0
   15.4582   21.3088    1.9793 O   0  0  0  0  0
   15.9899   22.2706   -0.1831 C   0  0  0  0  0
   15.3294   23.5238   -0.5671 N   0  0  0  0  0
    2.5639    2.7095    5.0992 H   0  0  0  0  0
    3.6140    2.0458    6.3575 H   0  0  0  0  0
    2.7844    0.9555    5.2331 H   0  0  0  0  0
    4.9531    2.9908    4.5001 H   0  0  0  0  0
    5.1285   -0.0713    4.5341 H   0  0  0  0  0
    5.7698    0.9906    5.7984 H   0  0  0  0  0
    6.4444    1.0619    4.1746 H   0  0  0  0  0
    3.1991    2.6128    2.7471 H   0  0  0  0  0
    3.5485    0.8865    2.8047 H   0  0  0  0  0
    5.9512    2.5329    2.3621 H   0  0  0  0  0
    5.5738   -0.9169    0.3189 H   0  0  0  0  0
    3.6024   -1.1240   -0.6022 H   0  0  0  0  0
    2.5265    1.3742    0.7487 H   0  0  0  0  0
    2.3715   -0.2611    1.3796 H   0  0  0  0  0
    1.2804    0.5937   -1.3518 H   0  0  0  0  0
    0.5961   -1.7871    0.4592 H   0  0  0  0  0
    1.4977   -1.8750   -1.0554 H   0  0  0  0  0
   -0.1917   -1.3872   -1.0766 H   0  0  0  0  0
   -0.1714    0.5186    1.3441 H   0  0  0  0  0
   -0.9147    0.8334   -0.2343 H   0  0  0  0  0
    0.2533    1.9799    0.4340 H   0  0  0  0  0
    4.9177    0.9742   -3.2867 H   0  0  0  0  0
    5.5019   -1.5929   -1.9275 H   0  0  0  0  0
    5.9242   -1.1260   -3.5889 H   0  0  0  0  0
    1.3100   -1.2458   -4.0065 H   0  0  0  0  0
    1.7960   -2.6796   -4.9443 H   0  0  0  0  0
    1.4523   -1.5693   -6.9185 H   0  0  0  0  0
    0.8532   -0.1608   -6.0443 H   0  0  0  0  0
    3.1793    0.0871   -7.4598 H   0  0  0  0  0
    2.9459    0.8696   -5.9236 H   0  0  0  0  0
    4.9445   -0.3228   -5.4643 H   0  0  0  0  0
    5.1227   -3.5028   -7.6892 H   0  0  0  0  0
    4.9057   -2.7313   -9.6566 H   0  0  0  0  0
    2.4462   -1.1265   -8.8875 H   0  0  0  0  0
    2.4817   -2.8757   -8.7790 H   0  0  0  0  0
    2.2712   -4.1950  -11.3102 H   0  0  0  0  0
    2.1536   -0.7222  -13.6286 H   0  0  0  0  0
    2.7803   -0.0227  -11.2598 H   0  0  0  0  0
    6.7630    0.3924   -9.6260 H   0  0  0  0  0
    8.4972   -0.9476   -9.5576 H   0  0  0  0  0
    7.0314   -3.4381   -8.6425 H   0  0  0  0  0
    7.6253   -2.1978   -7.5049 H   0  0  0  0  0
    8.7331   -3.0622   -8.5806 H   0  0  0  0  0
    8.1436   -2.1004  -12.6934 H   0  0  0  0  0
    3.9920    2.7573    0.1338 H   0  0  0  0  0
    6.7303    5.7140    0.5688 H   0  0  0  0  0
    7.0156    4.4257    3.1928 H   0  0  0  0  0
    5.3322    4.8303    2.8897 H   0  0  0  0  0
    4.6223    7.1585    2.3702 H   0  0  0  0  0
    5.0927    9.5507    2.7528 H   0  0  0  0  0
    9.1549    8.6005    3.8014 H   0  0  0  0  0
    8.7038    6.2112    3.4395 H   0  0  0  0  0
    8.2972   10.7010    3.6695 H   0  0  0  0  0
    7.6228    2.9077    1.0528 H   0  0  0  0  0
    8.0008    6.0511   -0.9113 H   0  0  0  0  0
    9.2912    5.2911   -1.8291 H   0  0  0  0  0
    9.8234    5.6792    1.0360 H   0  0  0  0  0
   11.7729    8.3721   -1.3754 H   0  0  0  0  0
   11.0814    5.7577   -2.7955 H   0  0  0  0  0
   12.6356    6.1391   -2.0523 H   0  0  0  0  0
   12.0319    7.1019   -3.4140 H   0  0  0  0  0
    9.2031    7.4694   -2.5365 H   0  0  0  0  0
    9.2269   11.2526   -1.0221 H   0  0  0  0  0
   11.6200    9.8290    0.1624 H   0  0  0  0  0
    9.9796    9.5306    0.7880 H   0  0  0  0  0
   11.5883   11.7446    0.9759 H   0  0  0  0  0
   11.3730   10.2420   -2.7278 H   0  0  0  0  0
   10.7617   14.2361   -2.8963 H   0  0  0  0  0
    8.3633   14.0315   -1.5482 H   0  0  0  0  0
    8.3333   12.5082   -2.4436 H   0  0  0  0  0
    7.2773   12.6828   -4.3900 H   0  0  0  0  0
    7.3216   14.1269   -5.3509 H   0  0  0  0  0
   10.4603   12.8870   -0.2803 H   0  0  0  0  0
   13.7033   15.2909   -0.6512 H   0  0  0  0  0
   12.5807   14.8289   -3.4441 H   0  0  0  0  0
   13.6456   13.6281   -2.7274 H   0  0  0  0  0
   14.3556   16.5853   -3.0557 H   0  0  0  0  0
   16.1201   14.1303   -2.5179 H   0  0  0  0  0
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M  END

>  <Chemical Name>
Galanin (1-15)

>  <PubChem CID>
16131409

>  <Formula>
C72H105N19O20

>  <Molecular Weight>
1556.745000

>  <IUPAC Name>
(2S)-2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoic acid

>  <XlogP>
-4.0

>  <Hydrogen Bond Donors>
21

>  <Hydrogen Bond Acceptors>
22

>  <Canonical SMILES>
CC(C)CC(C(=O)NC(CC(C)C)C(=O)NCC(=O)N1CCCC1C(=O)NC(CC2=CN=CN2)C(=O)NC(C)C(=O)O)NC(=O)C(CC3=CC=C(C=C3)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(CC4=CNC5=CC=CC=C54)NC(=O)CN

>  <Isomeric SMILES>
C[C@H]([C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CN=CN3)C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)CN)O

>  <InChI Std. ID>
InChI=1S/C72H105N19O20/c1-35(2)21-47(62(100)78-32-59(98)91-20-12-15-55(91)70(108)87-52(26-43-30-75-34-79-43)63(101)81-39(8)72(110)111)84-64(102)48(22-36(3)4)85-66(104)50(24-41-16-18-44(94)19-17-41)83-58(97)31-77-61(99)38(7)80-69(107)54(33-92)89-67(105)53(27-56(74)95)86-65(103)49(23-37(5)6)88-71(109)60(40(9)93)90-68(106)51(82-57(96)28-73)25-42-29-76-46-14-11-10-13-45(42)46/h10-11,13-14,16-19,29-30,34-40,47-55,60,76,92-94H,12,15,20-28,31-33,73H2,1-9H3,(H2,74,95)(H,75,79)(H,77,99)(H,78,100)(H,80,107)(H,81,101)(H,82,96)(H,83,97)(H,84,102)(H,85,104)(H,86,103)(H,87,108)(H,88,109)(H,89,105)(H,90,106)(H,110,111)/t38-,39-,40+,47-,48-,49-,50-,51-,52-,53-,54-,55-,60-/m0/s1

>  <InChI Key>
LOXLDVDBPRBBLT-GDRYISODSA-N

