(4-nitrophenyl)methyl 4-[(4-nitrophenyl)methoxycarbonylamino]-3-oxidanyl-2-(5-phenylpentanoylamino)-2-pyrrolidin-1-ylcarbonyl-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 4-[(4-nitrophenyl)methoxycarbonylamino]-3-oxidanyl-2-(5-phenylpentanoylamino)-2-pyrrolidin-1-ylcarbonyl-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 3-hydroxy-4-[(4-nitrophenyl)methoxycarbonylamino]-2-(5-phenylpentanoylamino)-2-(pyrrolidine-1-carbonyl)-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 3-hydroxy-4-mercapto-4-[[(4-nitrophenyl)methoxy-oxomethyl]amino]-2-[(1-oxo-5-phenylpentyl)amino]-2-[oxo(1-pyrrolidinyl)methyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-hydroxy-4-[(4-nitrophenyl)methoxycarbonylamino]-2-(5-phenylpentanoylamino)-2-(pyrrolidine-1-carbonyl)-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 3-hydroxy-4-mercapto-4-[(4-nitrobenzyl)oxycarbonylamino]-2-(5-phenylpentanoylamino)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C36H40N6O11S MolecularWeight: 764.8014

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2(C(C(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])(NC(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])S)O)NC(=O)CCCCC5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C(=O)C2(C(C(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])(NC(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])S)O)NC(=O)CCCCC5=CC=CC=C5

InChI

InChI=1S/C36H40N6O11S/c43-30(11-5-4-10-25-8-2-1-3-9-25)37-36(32(45)39-20-6-7-21-39)31(44)35(54,38-33(46)52-22-26-12-16-28(17-13-26)41(48)49)24-40(36)34(47)53-23-27-14-18-29(19-15-27)42(50)51/h1-3,8-9,12-19,31,44,54H,4-7,10-11,20-24H2,(H,37,43)(H,38,46)