1051970-61-6

Structural Information

Molecular Formula

C₅₈H₈₂N₁₄O₁₂

SMILES

CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CO)NC(=O)[C@H](CC5=CN=CN5)NC(=O)[C@@H]6CCC(=O)N6

InChI

InChI=1S/C58H82N14O12/c1-6-61-57(83)48-14-10-22-72(48)58(84)41(13-9-21-59)65-51(77)42(23-32(2)3)66-52(78)43(24-33(4)5)67-53(79)44(25-34-15-17-37(74)18-16-34)68-54(80)45(26-35-28-62-39-12-8-7-11-38(35)39)69-56(82)47(30-73)71-55(81)46(27-36-29-60-31-63-36)70-50(76)40-19-20-49(75)64-40/h7-8,11-12,15-18,28-29,31-33,40-48,62,73-74H,6,9-10,13-14,19-27,30,59H2,1-5H3,(H,60,63)(H,61,83)(H,64,75)(H,65,77)(H,66,78)(H,67,79)(H,68,80)(H,69,82)(H,70,76)(H,71,81)/t40-,41-,42-,43+,44-,45-,46-,47-,48-/m0/s1

InChIKey

METVKNCFZCEPON-LIJARHBVSA-N

Compound name

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

Related CIDs

• CID 145707838