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

Systemtic Name: (4-nitrophenyl)methyl 5-cyclohexyl-2-[4-[(4-nitrophenyl)methoxycarbonylamino]pentanoylamino]-3-oxidanyl-2-pyrrolidin-1-ylcarbonyl-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 5-cyclohexyl-3-hydroxy-2-[4-[(4-nitrophenyl)methoxycarbonylamino]pentanoylamino]-2-(pyrrolidine-1-carbonyl)-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 5-cyclohexyl-3-hydroxy-4-mercapto-2-[[4-[[(4-nitrophenyl)methoxy-oxomethyl]amino]-1-oxopentyl]amino]-2-[oxo(1-pyrrolidinyl)methyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 5-cyclohexyl-3-hydroxy-2-[4-[(4-nitrophenyl)methoxycarbonylamino]pentanoylamino]-2-(pyrrolidine-1-carbonyl)-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 5-cyclohexyl-3-hydroxy-4-mercapto-2-[4-[(4-nitrobenzyl)oxycarbonylamino]pentanoylamino]-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C36H46N6O11S MolecularWeight: 770.84904

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)NC1(C(C(C(N1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C3CCCCC3)S)O)C(=O)N4CCCC4)NC(=O)OCC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC(CCC(=O)NC1(C(C(C(N1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C3CCCCC3)S)O)C(=O)N4CCCC4)NC(=O)OCC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C36H46N6O11S/c1-23(37-34(46)52-21-24-10-14-27(15-11-24)41(48)49)9-18-29(43)38-36(33(45)39-19-5-6-20-39)32(44)31(54)30(26-7-3-2-4-8-26)40(36)35(47)53-22-25-12-16-28(17-13-25)42(50)51/h10-17,23,26,30-32,44,54H,2-9,18-22H2,1H3,(H,37,46)(H,38,43)