1-(2-azanyl-3-phenyl-propanoyl)-N-[1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]pyrrolidine-2-carboxamide

Systemtic Name: 1-(2-azanyl-3-phenyl-propanoyl)-N-[1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]pyrrolidine-2-carboxamide Openeye Name: 1-(2-amino-3-phenyl-propanoyl)-N-[1-methyl-2-(4-nitroanilino)-2-oxo-ethyl]pyrrolidine-2-carboxamide CAS Name: 1-(2-amino-1-oxo-3-phenylpropyl)-N-[1-(4-nitroanilino)-1-oxopropan-2-yl]-2-pyrrolidinecarboxamide IUPAC Name: 1-(2-amino-3-phenylpropanoyl)-N-[1-(4-nitroanilino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide Traditional Name: N-[2-keto-1-methyl-2-(4-nitroanilino)ethyl]-1-phenylalanyl-pyrrolidine-2-carboxamide Formula: C23H27N5O5 MolecularWeight: 453.49098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C2CCCN2C(=O)C(CC3=CC=CC=C3)N

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C2CCCN2C(=O)C(CC3=CC=CC=C3)N

InChI

InChI=1S/C23H27N5O5/c1-15(21(29)26-17-9-11-18(12-10-17)28(32)33)25-22(30)20-8-5-13-27(20)23(31)19(24)14-16-6-3-2-4-7-16/h2-4,6-7,9-12,15,19-20H,5,8,13-14,24H2,1H3,(H,25,30)(H,26,29)