Thr10contulakin-G   Click here for help

GtoPdb Ligand ID: 1573

Comment: Non-glycosylated synthetic analogue of contulakin-G
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2D Structure
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SMILES / InChI / InChIKey
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Canonical SMILES NCCCCC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CC(C)C)C(CC)C)Cc1ccc(cc1)O)CCCCN)NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1CCC(=O)N1)CO)CCC(=O)O)CCC(=O)O)CO)CC(=O)N)C
Isomeric SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCC(=O)N1)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)O
InChI InChI=1S/C74H117N19O27/c1-7-37(4)59(71(116)89-49(74(119)120)29-36(2)3)91-67(112)47(30-40-16-18-41(97)19-17-40)88-70(115)52-15-12-28-93(52)73(118)46(14-9-11-27-76)86-63(108)42(13-8-10-26-75)85-72(117)60(39(6)96)92-61(106)38(5)80-66(111)48(31-53(77)98)87-68(113)50(34-94)82-56(101)33-78-55(100)32-79-62(107)43(21-24-57(102)103)83-65(110)45(22-25-58(104)105)84-69(114)51(35-95)90-64(109)44-20-23-54(99)81-44/h16-19,36-39,42-52,59-60,94-97H,7-15,20-35,75-76H2,1-6H3,(H2,77,98)(H,78,100)(H,79,107)(H,80,111)(H,81,99)(H,82,101)(H,83,110)(H,84,114)(H,85,117)(H,86,108)(H,87,113)(H,88,115)(H,89,116)(H,90,109)(H,91,112)(H,92,106)(H,102,103)(H,104,105)(H,119,120)/t37-,38-,39+,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,59-,60-/m0/s1
InChI Key RMBUSFDUDIVELV-FEHLDFIESA-N
Classification Click here for help
Compound class Peptide or derivative
Database Links Click here for help
GtoPdb PubChem SID 135652603
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