1-[2-[[2-ethanoylsulfanyl-3-(4-nitrophenyl)propanoyl]amino]ethanoyl]-5-phenyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[[2-ethanoylsulfanyl-3-(4-nitrophenyl)propanoyl]amino]ethanoyl]-5-phenyl-pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[[2-acetylsulfanyl-3-(4-nitrophenyl)propanoyl]amino]acetyl]-5-phenyl-pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[[2-(acetylthio)-3-(4-nitrophenyl)-1-oxopropyl]amino]-1-oxoethyl]-5-phenyl-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[[2-acetylsulfanyl-3-(4-nitrophenyl)propanoyl]amino]acetyl]-5-phenylpyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[[2-(acetylthio)-3-(4-nitrophenyl)propanoyl]amino]acetyl]-5-phenyl-proline Formula: C24H25N3O7S MolecularWeight: 499.5362

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)NCC(=O)N2C(CCC2C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC(=O)SC(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)NCC(=O)N2C(CCC2C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C24H25N3O7S/c1-15(28)35-21(13-16-7-9-18(10-8-16)27(33)34)23(30)25-14-22(29)26-19(11-12-20(26)24(31)32)17-5-3-2-4-6-17/h2-10,19-21H,11-14H2,1H3,(H,25,30)(H,31,32)