(2R,4S)-N-[(2R,3R)-5-(1H-benzimidazol-2-ylamino)-3-oxidanyl-5-oxidanylidene-1-phenyl-pentan-2-yl]-5,5-dimethyl-2-[(1R)-2-oxidanylidene-1-(2-phenylethanoylamino)-2-[(phenylmethyl)amino]ethyl]-1,3-thiazolidine-4-carboxamide

Systemtic Name: (2R,4S)-N-[(2R,3R)-5-(1H-benzimidazol-2-ylamino)-3-oxidanyl-5-oxidanylidene-1-phenyl-pentan-2-yl]-5,5-dimethyl-2-[(1R)-2-oxidanylidene-1-(2-phenylethanoylamino)-2-[(phenylmethyl)amino]ethyl]-1,3-thiazolidine-4-carboxamide Openeye Name: (2R,4S)-N-[(1R,2R)-4-(1H-benzimidazol-2-ylamino)-1-benzyl-2-hydroxy-4-oxo-butyl]-2-[(1R)-2-(benzylamino)-2-oxo-1-[(2-phenylacetyl)amino]ethyl]-5,5-dimethyl-thiazolidine-4-carboxamide CAS Name: (2R,4S)-N-[(2R,3R)-5-(1H-benzimidazol-2-ylamino)-3-hydroxy-5-oxo-1-phenylpentan-2-yl]-5,5-dimethyl-2-[(1R)-2-oxo-1-[(1-oxo-2-phenylethyl)amino]-2-[(phenylmethyl)amino]ethyl]-4-thiazolidinecarboxamide IUPAC Name: (2R,4S)-N-[(2R,3R)-5-(1H-benzimidazol-2-ylamino)-3-hydroxy-5-oxo-1-phenylpentan-2-yl]-2-[(1R)-2-(benzylamino)-2-oxo-1-[(2-phenylacetyl)amino]ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide Traditional Name: (2R,4S)-N-[(1R,2R)-4-(1H-benzimidazol-2-ylamino)-1-benzyl-2-hydroxy-4-keto-butyl]-2-[(1R)-2-(benzylamino)-2-keto-1-[(2-phenylacetyl)amino]ethyl]-5,5-dimethyl-thiazolidine-4-carboxamide Formula: C41H45N7O5S MolecularWeight: 747.9049

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(NC(S1)C(C(=O)NCC2=CC=CC=C2)NC(=O)CC3=CC=CC=C3)C(=O)NC(CC4=CC=CC=C4)C(CC(=O)NC5=NC6=CC=CC=C6N5)O)C

Isomeric SMILES

CC1([C@@H](N[C@H](S1)[C@@H](C(=O)NCC2=CC=CC=C2)NC(=O)CC3=CC=CC=C3)C(=O)N[C@H](CC4=CC=CC=C4)[C@@H](CC(=O)NC5=NC6=CC=CC=C6N5)O)C

InChI

InChI=1S/C41H45N7O5S/c1-41(2)36(48-39(54-41)35(37(52)42-25-28-18-10-5-11-19-28)46-33(50)23-27-16-8-4-9-17-27)38(53)43-31(22-26-14-6-3-7-15-26)32(49)24-34(51)47-40-44-29-20-12-13-21-30(29)45-40/h3-21,31-32,35-36,39,48-49H,22-25H2,1-2H3,(H,42,52)(H,43,53)(H,46,50)(H2,44,45,47,51)/t31-,32-,35-,36+,39-/m1/s1