(4-nitrophenyl)methyl 2-azanyl-4-[(4-methoxyphenyl)methylsulfanyl]-2-pyrrolidin-1-ylcarbonyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-azanyl-4-[(4-methoxyphenyl)methylsulfanyl]-2-pyrrolidin-1-ylcarbonyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-amino-4-[(4-methoxyphenyl)methylsulfanyl]-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate CAS Name: 2-amino-4-[(4-methoxyphenyl)methylthio]-2-[oxo(1-pyrrolidinyl)methyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-amino-4-[(4-methoxyphenyl)methylsulfanyl]-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 2-amino-4-(p-anisylthio)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C25H30N4O6S MolecularWeight: 514.5939

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC2CC(N(C2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])(C(=O)N4CCCC4)N

Isomeric SMILES

COC1=CC=C(C=C1)CSC2CC(N(C2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])(C(=O)N4CCCC4)N

InChI

InChI=1S/C25H30N4O6S/c1-34-21-10-6-19(7-11-21)17-36-22-14-25(26,23(30)27-12-2-3-13-27)28(15-22)24(31)35-16-18-4-8-20(9-5-18)29(32)33/h4-11,22H,2-3,12-17,26H2,1H3