(4-nitrophenyl)methyl 2-[(2-aminocarbonyl-5-prop-2-enoxycarbonyl-phenyl)carbamoyl]-4-ethanoylsulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-[(2-aminocarbonyl-5-prop-2-enoxycarbonyl-phenyl)carbamoyl]-4-ethanoylsulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-[(5-allyloxycarbonyl-2-carbamoyl-phenyl)carbamoyl]pyrrolidine-1-carboxylate CAS Name: 4-(acetylthio)-2-[[2-carbamoyl-5-[oxo(prop-2-enoxy)methyl]anilino]-oxomethyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-[(2-carbamoyl-5-prop-2-enoxycarbonylphenyl)carbamoyl]pyrrolidine-1-carboxylate Traditional Name: 4-(acetylthio)-2-[(5-allyloxycarbonyl-2-carbamoyl-phenyl)carbamoyl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C26H26N4O9S MolecularWeight: 570.57104

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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-])C(=O)NC3=C(C=CC(=C3)C(=O)OCC=C)C(=O)N

Isomeric SMILES

CC(=O)SC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)NC3=C(C=CC(=C3)C(=O)OCC=C)C(=O)N

InChI

InChI=1S/C26H26N4O9S/c1-3-10-38-25(34)17-6-9-20(23(27)32)21(11-17)28-24(33)22-12-19(40-15(2)31)13-29(22)26(35)39-14-16-4-7-18(8-5-16)30(36)37/h3-9,11,19,22H,1,10,12-14H2,2H3,(H2,27,32)(H,28,33)