Nh2-trp-glu-asp-trp-val-ala-trp-ile-cooh

Structural Information

Molecular Formula

C₅₆H₆₉N₁₁O₁₃

SMILES

CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](C)NC(=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)N

InChI

InChI=1S/C56H69N11O13/c1-6-29(4)48(56(79)80)67-54(77)42(22-32-26-59-39-17-11-8-14-35(32)39)63-49(72)30(5)61-55(78)47(28(2)3)66-53(76)43(23-33-27-60-40-18-12-9-15-36(33)40)64-52(75)44(24-46(70)71)65-51(74)41(19-20-45(68)69)62-50(73)37(57)21-31-25-58-38-16-10-7-13-34(31)38/h7-18,25-30,37,41-44,47-48,58-60H,6,19-24,57H2,1-5H3,(H,61,78)(H,62,73)(H,63,72)(H,64,75)(H,65,74)(H,66,76)(H,67,77)(H,68,69)(H,70,71)(H,79,80)/t29-,30-,37-,41-,42-,43-,44-,47-,48-/m0/s1

InChIKey

IRWIVZBXHNAUTF-QWFSNDORSA-N

Compound name

(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-carboxybutanoyl]amino]-3-carboxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoic acid

Related CIDs

• CID 514222