78708-43-7

Structural Information

Molecular Formula

C₆₉H₈₅FN₁₆O₁₃

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=C(C=C7)F)NC(=O)[C@@H]8C=CCN8C(=O)C

InChI

InChI=1S/C69H85FN16O13/c1-38(2)29-51(60(91)78-50(15-8-26-74-69(72)73)68(99)86-28-10-16-57(86)66(97)77-36-59(71)90)79-63(94)54(32-42-34-75-48-13-6-4-11-46(42)48)81-61(92)52(31-41-20-24-45(89)25-21-41)80-65(96)56(37-87)84-64(95)55(33-43-35-76-49-14-7-5-12-47(43)49)82-62(93)53(30-40-18-22-44(70)23-19-40)83-67(98)58-17-9-27-85(58)39(3)88/h4-7,9,11-14,17-25,34-35,38,50-58,75-76,87,89H,8,10,15-16,26-33,36-37H2,1-3H3,(H2,71,90)(H,77,97)(H,78,91)(H,79,94)(H,80,96)(H,81,92)(H,82,93)(H,83,98)(H,84,95)(H4,72,73,74)/t50-,51-,52-,53+,54+,55+,56-,57-,58-/m0/s1

InChIKey

QGTIKBKZFGCSRS-FZANJEFGSA-N

Compound name

(2S)-1-acetyl-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]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-2,5-dihydropyrrole-2-carboxamide

Related CIDs

• CID 25074422