(4-nitrophenyl)methyl 4-ethanoylsulfanyl-2-[3-[methyl(prop-2-enoxycarbonyl)amino]-1-oxidanyl-propyl]pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 4-ethanoylsulfanyl-2-[3-[methyl(prop-2-enoxycarbonyl)amino]-1-oxidanyl-propyl]pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-[3-[allyloxycarbonyl(methyl)amino]-1-hydroxy-propyl]pyrrolidine-1-carboxylate CAS Name: 4-(acetylthio)-2-[1-hydroxy-3-[methyl-[oxo(prop-2-enoxy)methyl]amino]propyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-[1-hydroxy-3-[methyl(prop-2-enoxycarbonyl)amino]propyl]pyrrolidine-1-carboxylate Traditional Name: 4-(acetylthio)-2-[3-[allyloxycarbonyl(methyl)amino]-1-hydroxy-propyl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C22H29N3O8S MolecularWeight: 495.54596

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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(CCN(C)C(=O)OCC=C)O

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O8S/c1-4-11-32-21(28)23(3)10-9-20(27)19-12-18(34-15(2)26)13-24(19)22(29)33-14-16-5-7-17(8-6-16)25(30)31/h4-8,18-20,27H,1,9-14H2,2-3H3