A(9-26)INSL3   Click here for help

GtoPdb Ligand ID: 8329

Comment: Synthetic analogue of the A chain of human INSL3.
Click here for help
2D Structure
Click here for help
Click here for structure editor
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES SCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)O)Cc1ccc(cc1)O)CS)CC(C)C)C(O)C)CC(C)C)CC(C)C)CC(=O)O)CCC(=O)N)CCC(=O)N)C(O)C)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(Cc1ccc(cc1)O)N)CS)CS)CC(C)C)CO
Isomeric SMILES SC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)CS)CC(C)C)[C@H](O)C)CC(C)C)CC(C)C)CC(=O)O)CCC(=O)N)CCC(=O)N)[C@H](O)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)O)N)CS)CS)CC(C)C)CO
InChI InChI=1S/C86H134N20O28S4/c1-39(2)26-52(74(121)95-55(29-42(7)8)78(125)104-69(44(10)109)84(131)98-54(28-41(5)6)76(123)103-62(38-138)85(132)106-25-11-12-63(106)82(129)99-57(86(133)134)31-46-15-19-48(111)20-16-46)94-77(124)56(32-67(115)116)97-73(120)50(21-23-64(88)112)92-72(119)51(22-24-65(89)113)93-83(130)68(43(9)108)105-81(128)59(35-135)91-66(114)33-90-71(118)58(34-107)100-75(122)53(27-40(3)4)96-79(126)61(37-137)102-80(127)60(36-136)101-70(117)49(87)30-45-13-17-47(110)18-14-45/h13-20,39-44,49-63,68-69,107-111,135-138H,11-12,21-38,87H2,1-10H3,(H2,88,112)(H2,89,113)(H,90,118)(H,91,114)(H,92,119)(H,93,130)(H,94,124)(H,95,121)(H,96,126)(H,97,120)(H,98,131)(H,99,129)(H,100,122)(H,101,117)(H,102,127)(H,103,123)(H,104,125)(H,105,128)(H,115,116)(H,133,134)/t43-,44-,49+,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,68+,69+/m1/s1
InChI Key HHIHBEIJOBMKLZ-XYUOUADWSA-N
Classification Click here for help
Compound class Peptide or derivative
Database Links Click here for help
GtoPdb PubChem SID 252166541
Search Google for chemical match using the InChIKey HHIHBEIJOBMKLZ-XYUOUADWSA-N
Search Google for chemicals with the same backbone HHIHBEIJOBMKLZ
Search UniChem for chemical match using the InChIKey HHIHBEIJOBMKLZ-XYUOUADWSA-N
Search UniChem for chemicals with the same backbone HHIHBEIJOBMKLZ