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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1(C(CC(N1C(=O)CN)C2=CC=CC=C2)C(=O)CCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(=O)SC1(C(CC(N1C(=O)CN)C2=CC=CC=C2)C(=O)CCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)O

InChI

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