319432-42-3

Structural Information

Molecular Formula

C₅₅H₇₄N₁₄O₁₃

SMILES

CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)N)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/C55H74N14O13/c1-5-58-54(81)44-11-8-20-69(44)55(82)38(16-18-45(56)72)63-50(77)39(21-29(2)3)64-47(74)30(4)61-49(76)40(22-31-12-14-34(71)15-13-31)65-53(80)43(27-70)68-51(78)41(23-32-25-59-36-10-7-6-9-35(32)36)66-52(79)42(24-33-26-57-28-60-33)67-48(75)37-17-19-46(73)62-37/h6-7,9-10,12-15,25-26,28-30,37-44,59,70-71H,5,8,11,16-24,27H2,1-4H3,(H2,56,72)(H,57,60)(H,58,81)(H,61,76)(H,62,73)(H,63,77)(H,64,74)(H,65,80)(H,66,79)(H,67,75)(H,68,78)/t30-,37+,38+,39+,40+,41+,42+,43+,44+/m1/s1

InChIKey

QINANNBSRCDUOK-PCMWHEESSA-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]-1,5-dioxopentan-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 90472057