Contulakin-g

Structural Information

Molecular Formula

C₇₄H₁₁₇N₁₉O₂₇

SMILES

CCC(C)[C@@H](C(=O)NC(CC(C)C)C(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)C2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)N)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]3CCC(=O)N3

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

InChIKey

RMBUSFDUDIVELV-OHRCIBIGSA-N

Compound name

2-[[(2S)-2-[[(2S)-2-[[1-[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[2-[[2-[[(2S)-4-carboxy-2-[[(2S)-4-carboxy-2-[[(2S)-3-hydroxy-2-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]propanoyl]amino]butanoyl]amino]butanoyl]amino]acetyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]propanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid

Related CIDs

• CID 156599391