129418-54-8

Structural Information

Molecular Formula

C₆₄H₈₁N₁₇O₁₄

SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)O)NC(=O)[C@@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CC7=CN=CN7)NC(=O)[C@@H]8CCC(=O)N8

InChI

InChI=1S/C64H81N17O14/c1-34(2)23-46(56(88)74-45(13-7-21-68-64(65)66)63(95)81-22-8-14-52(81)62(94)71-31-54(85)86)75-58(90)48(25-36-28-69-42-11-5-3-9-40(36)42)77-57(89)47(24-35-15-17-39(83)18-16-35)76-61(93)51(32-82)80-59(91)49(26-37-29-70-43-12-6-4-10-41(37)43)78-60(92)50(27-38-30-67-33-72-38)79-55(87)44-19-20-53(84)73-44/h3-6,9-12,15-18,28-30,33-34,44-52,69-70,82-83H,7-8,13-14,19-27,31-32H2,1-2H3,(H,67,72)(H,71,94)(H,73,84)(H,74,88)(H,75,90)(H,76,93)(H,77,89)(H,78,92)(H,79,87)(H,80,91)(H,85,86)(H4,65,66,68)/t44-,45-,46-,47-,48+,49-,50-,51-,52-/m0/s1

InChIKey

JSQHWNVOAZRTBZ-PGBVPBMZSA-N

Compound name

2-[[(2S)-1-[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-3-hydroxy-2-[[(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]acetic acid

Related CIDs

• CID 25081395