3-(4-nitrophenyl)-2-[(5-oxidanylidene-1-phenylmethoxycarbonyl-pyrrolidin-2-yl)carbonylamino]propanoic acid

Systemtic Name: 3-(4-nitrophenyl)-2-[(5-oxidanylidene-1-phenylmethoxycarbonyl-pyrrolidin-2-yl)carbonylamino]propanoic acid Openeye Name: 2-[(1-benzyloxycarbonyl-5-oxo-pyrrolidine-2-carbonyl)amino]-3-(4-nitrophenyl)propanoic acid CAS Name: 3-(4-nitrophenyl)-2-[[oxo-(5-oxo-1-phenylmethoxycarbonyl-2-pyrrolidinyl)methyl]amino]propanoic acid IUPAC Name: 3-(4-nitrophenyl)-2-[(5-oxo-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl)amino]propanoic acid Traditional Name: 2-[(1-carbobenzoxy-5-keto-prolyl)amino]-3-(4-nitrophenyl)propionic acid Formula: C22H21N3O8 MolecularWeight: 455.41744

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1C(=O)NC(CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CC(=O)N(C1C(=O)NC(CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H21N3O8/c26-19-11-10-18(24(19)22(30)33-13-15-4-2-1-3-5-15)20(27)23-17(21(28)29)12-14-6-8-16(9-7-14)25(31)32/h1-9,17-18H,10-13H2,(H,23,27)(H,28,29)