(4-nitrophenyl)methyl 2-[3-[methyl-[1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]amino]-1-oxidanyl-3-oxidanylidene-propyl]-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-[3-[methyl-[1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]amino]-1-oxidanyl-3-oxidanylidene-propyl]-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[1-hydroxy-3-[methyl-[1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]amino]-3-oxo-propyl]-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-[1-hydroxy-3-[methyl-[1-[(4-nitrophenyl)methoxy-oxomethyl]-3-pyrrolidinyl]amino]-3-oxopropyl]-4-mercapto-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[1-hydroxy-3-[methyl-[1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]amino]-3-oxopropyl]-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 2-[1-hydroxy-3-keto-3-[methyl-[1-(4-nitrobenzyl)oxycarbonylpyrrolidin-3-yl]amino]propyl]-4-mercapto-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C28H33N5O10S MolecularWeight: 631.65412

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCN(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)CC(C3CC(CN3C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])S)O

Isomeric SMILES

CN(C1CCN(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)CC(C3CC(CN3C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])S)O

InChI

InChI=1S/C28H33N5O10S/c1-29(22-10-11-30(14-22)27(36)42-16-18-2-6-20(7-3-18)32(38)39)26(35)13-25(34)24-12-23(44)15-31(24)28(37)43-17-19-4-8-21(9-5-19)33(40)41/h2-9,22-25,34,44H,10-17H2,1H3