319429-24-8

Structural Information

Molecular Formula

C₅₃H₇₁N₁₃O₁₃

SMILES

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

InChI

InChI=1S/C53H71N13O13/c1-5-55-52(78)43-11-8-18-66(43)53(79)42(26-68)65-48(74)37(19-28(2)3)60-45(71)29(4)58-47(73)38(20-30-12-14-33(69)15-13-30)61-51(77)41(25-67)64-49(75)39(21-31-23-56-35-10-7-6-9-34(31)35)62-50(76)40(22-32-24-54-27-57-32)63-46(72)36-16-17-44(70)59-36/h6-7,9-10,12-15,23-24,27-29,36-43,56,67-69H,5,8,11,16-22,25-26H2,1-4H3,(H,54,57)(H,55,78)(H,58,73)(H,59,70)(H,60,71)(H,61,77)(H,62,76)(H,63,72)(H,64,75)(H,65,74)/t29-,36+,37+,38+,39+,40+,41+,42+,43+/m1/s1

InChIKey

STTZWNQPYNOUHL-NTJDMNBESA-N

Compound name

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

Related CIDs

• CID 131698097