96497-82-4

Structural Information

Molecular Formula

C₆₄H₈₃N₁₇O₁₂

SMILES

CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@@H](CCCN=C(N)N)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/C64H83N17O12/c1-4-68-62(92)53-16-10-24-81(53)63(93)51(25-35(2)3)79-58(88)48(27-37-30-70-43-13-7-5-11-41(37)43)76-55(85)45(15-9-23-69-64(65)66)74-57(87)47(26-36-17-19-40(83)20-18-36)75-61(91)52(33-82)80-59(89)49(28-38-31-71-44-14-8-6-12-42(38)44)77-60(90)50(29-39-32-67-34-72-39)78-56(86)46-21-22-54(84)73-46/h5-8,11-14,17-20,30-32,34-35,45-53,70-71,82-83H,4,9-10,15-16,21-29,33H2,1-3H3,(H,67,72)(H,68,92)(H,73,84)(H,74,87)(H,75,91)(H,76,85)(H,77,90)(H,78,86)(H,79,88)(H,80,89)(H4,65,66,69)/t45-,46+,47+,48+,49+,50+,51+,52+,53+/m1/s1

InChIKey

PYXUQVSYYFRRBD-OIAWHVPDSA-N

Compound name

(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-5-(diaminomethylideneamino)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide

Related CIDs

• CID 121493629
• CID 139032894