(4-nitrophenyl)methyl 2-aminocarbonyl-4-[4-ethanoylsulfanyl-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-2-yl]pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-aminocarbonyl-4-[4-ethanoylsulfanyl-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-2-yl]pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-[4-acetylsulfanyl-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-2-yl]-2-carbamoyl-pyrrolidine-1-carboxylate CAS Name: 4-[4-(acetylthio)-1-[(4-nitrophenyl)methoxy-oxomethyl]-2-pyrrolidinyl]-2-carbamoyl-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-[4-acetylsulfanyl-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-2-yl]-2-carbamoylpyrrolidine-1-carboxylate Traditional Name: 4-[4-(acetylthio)-1-(4-nitrobenzyl)oxycarbonyl-pyrrolidin-2-yl]-2-carbamoyl-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C27H29N5O10S MolecularWeight: 615.61166

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C3CC(N(C3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])C(=O)N

Isomeric SMILES

CC(=O)SC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C3CC(N(C3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])C(=O)N

InChI

InChI=1S/C27H29N5O10S/c1-16(33)43-22-11-23(30(13-22)27(36)42-15-18-4-8-21(9-5-18)32(39)40)19-10-24(25(28)34)29(12-19)26(35)41-14-17-2-6-20(7-3-17)31(37)38/h2-9,19,22-24H,10-15H2,1H3,(H2,28,34)