Nh2-trp-glu-asp-trp-val-gly-trp-ile-gly-asn-ile-pro-cooh

Structural Information

Molecular Formula

C₇₂H₉₄N₁₆O₁₈

SMILES

CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(=O)O)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC6=CNC7=CC=CC=C76)N

InChI

InChI=1S/C72H94N16O18/c1-7-37(5)61(70(103)79-35-57(91)81-52(29-55(74)89)68(101)87-62(38(6)8-2)71(104)88-25-15-22-54(88)72(105)106)86-66(99)50(27-40-32-76-47-20-13-10-17-43(40)47)80-56(90)34-78-69(102)60(36(3)4)85-67(100)51(28-41-33-77-48-21-14-11-18-44(41)48)83-65(98)53(30-59(94)95)84-64(97)49(23-24-58(92)93)82-63(96)45(73)26-39-31-75-46-19-12-9-16-42(39)46/h9-14,16-21,31-33,36-38,45,49-54,60-62,75-77H,7-8,15,22-30,34-35,73H2,1-6H3,(H2,74,89)(H,78,102)(H,79,103)(H,80,90)(H,81,91)(H,82,96)(H,83,98)(H,84,97)(H,85,100)(H,86,99)(H,87,101)(H,92,93)(H,94,95)(H,105,106)/t37-,38-,45-,49-,50-,51-,52-,53-,54-,60-,61-,62-/m0/s1

InChIKey

CUTWZPMIJZGCSK-DWIBBPBHSA-N

Compound name

(2S)-1-[(2S,3S)-2-[[(2S)-4-amino-2-[[2-[[(2S,3S)-2-[[(2S)-2-[[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]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]-4-oxobutanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carboxylic acid

Related CIDs

• CID 16131747