68059-94-9

Structural Information

Molecular Formula

C₆₇H₈₄N₁₆O₁₃

SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N)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=CC=CC=C7)NC(=O)[C@H]8CCC(=O)N8

InChI

InChI=1S/C67H84N16O13/c1-37(2)28-49(59(89)76-48(18-10-26-71-67(69)70)66(96)83-27-11-19-55(83)65(95)74-35-56(68)86)77-62(92)52(31-40-33-72-45-16-8-6-14-43(40)45)80-61(91)51(30-39-20-22-42(85)23-21-39)79-64(94)54(36-84)82-63(93)53(32-41-34-73-46-17-9-7-15-44(41)46)81-60(90)50(29-38-12-4-3-5-13-38)78-58(88)47-24-25-57(87)75-47/h3-9,12-17,20-23,33-34,37,47-55,72-73,84-85H,10-11,18-19,24-32,35-36H2,1-2H3,(H2,68,86)(H,74,95)(H,75,87)(H,76,89)(H,77,92)(H,78,88)(H,79,94)(H,80,91)(H,81,90)(H,82,93)(H4,69,70,71)/t47-,48+,49+,50-,51+,52-,53-,54+,55+/m1/s1

InChIKey

NYWIVATZZKIKCF-FKDXDCHSSA-N

Compound name

(2R)-N-[(2R)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-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]-1-oxo-3-phenylpropan-2-yl]-5-oxopyrrolidine-2-carboxamide

Related CIDs

• CID 25078138