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

Systemtic Name: (4-nitrophenyl)methyl 2-[4-[(4-nitrophenyl)methoxycarbonylamino]butanoylamino]-3-oxidanyl-2-pyrrolidin-1-ylcarbonyl-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 3-hydroxy-2-[4-[(4-nitrophenyl)methoxycarbonylamino]butanoylamino]-2-(pyrrolidine-1-carbonyl)-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 3-hydroxy-4-mercapto-2-[[4-[[(4-nitrophenyl)methoxy-oxomethyl]amino]-1-oxobutyl]amino]-2-[oxo(1-pyrrolidinyl)methyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-hydroxy-2-[4-[(4-nitrophenyl)methoxycarbonylamino]butanoylamino]-2-(pyrrolidine-1-carbonyl)-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 3-hydroxy-4-mercapto-2-[4-[(4-nitrobenzyl)oxycarbonylamino]butanoylamino]-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C29H34N6O11S MolecularWeight: 674.67886

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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-])S)O)NC(=O)CCCNC(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C29H34N6O11S/c36-24(4-3-13-30-27(39)45-17-19-5-9-21(10-6-19)34(41)42)31-29(26(38)32-14-1-2-15-32)25(37)23(47)16-33(29)28(40)46-18-20-7-11-22(12-8-20)35(43)44/h5-12,23,25,37,47H,1-4,13-18H2,(H,30,39)(H,31,36)