(1,1-dimethylethyl)-2-[3-[[[2-[2-[[2-[[5-(hexahydro-2-oxo-1h-thieno[3,4-d]imidazol-4-yl)-1-oxopentyl]amino]ethyl]amino]-2-oxo-1-[(phenylacetyl)amino]ethyl]-5,5-dimethyl-4-

Structural Information

Molecular Formula

C₄₅H₇₁N₉O₇S₂

SMILES

CC1([C@@H](N[C@H](S1)[C@@H](C(=O)NCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)NC(=O)CC4=CC=CC=C4)C(=O)NCC(CN5C[C@H]6CCCC[C@H]6C[C@H]5C(=O)NC(C)(C)C)O)C

InChI

InChI=1S/C45H71N9O7S2/c1-44(2,3)53-39(58)32-22-28-15-9-10-16-29(28)24-54(32)25-30(55)23-48-41(60)38-45(4,5)63-42(52-38)37(50-35(57)21-27-13-7-6-8-14-27)40(59)47-20-19-46-34(56)18-12-11-17-33-36-31(26-62-33)49-43(61)51-36/h6-8,13-14,28-33,36-38,42,52,55H,9-12,15-26H2,1-5H3,(H,46,56)(H,47,59)(H,48,60)(H,50,57)(H,53,58)(H2,49,51,61)/t28-,29+,30?,31-,32-,33-,36-,37+,38-,42+/m0/s1

InChIKey

COHUVUQDQJRZJH-YCLPCRCSSA-N

Compound name

(2R,4S)-N-[3-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-hydroxypropyl]-2-[(1R)-2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethylamino]-2-oxo-1-[(2-phenylacetyl)amino]ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide

Related CIDs

• CID 456078