Nh2-gln-leu-gln-lys-trp-glu-asp-trp-val-gly-trp-ile-cooh

Structural Information

Molecular Formula

C₇₇H₁₀₆N₁₈O₁₉

SMILES

CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N)N

InChI

InChI=1S/C77H106N18O19/c1-7-41(6)66(77(113)114)95-74(110)56(31-42-35-82-49-19-11-8-16-45(42)49)86-62(98)38-85-76(112)65(40(4)5)94-75(111)58(33-44-37-84-51-21-13-10-18-47(44)51)92-73(109)59(34-64(101)102)93-70(106)54(25-28-63(99)100)89-72(108)57(32-43-36-83-50-20-12-9-17-46(43)50)91-68(104)52(22-14-15-29-78)87-69(105)53(24-27-61(81)97)88-71(107)55(30-39(2)3)90-67(103)48(79)23-26-60(80)96/h8-13,16-21,35-37,39-41,48,52-59,65-66,82-84H,7,14-15,22-34,38,78-79H2,1-6H3,(H2,80,96)(H2,81,97)(H,85,112)(H,86,98)(H,87,105)(H,88,107)(H,89,108)(H,90,103)(H,91,104)(H,92,109)(H,93,106)(H,94,111)(H,95,110)(H,99,100)(H,101,102)(H,113,114)/t41-,48-,52-,53-,54-,55-,56-,57-,58-,59-,65-,66-/m0/s1

InChIKey

RPVZKIOZEMKUGS-WVHUGTMQSA-N

Compound name

(2S,3S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-carboxybutanoyl]amino]-3-carboxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoic acid

Related CIDs

• CID 16131748