3-(4-nitrophenyl)-2-[(5-oxidanylidenepyrrolidin-2-yl)carbonyl-(phenylmethyl)amino]propanoic acid

Systemtic Name: 3-(4-nitrophenyl)-2-[(5-oxidanylidenepyrrolidin-2-yl)carbonyl-(phenylmethyl)amino]propanoic acid Openeye Name: 2-[benzyl-(5-oxopyrrolidine-2-carbonyl)amino]-3-(4-nitrophenyl)propanoic acid CAS Name: 3-(4-nitrophenyl)-2-[[oxo-(5-oxo-2-pyrrolidinyl)methyl]-(phenylmethyl)amino]propanoic acid IUPAC Name: 2-[benzyl-(5-oxopyrrolidine-2-carbonyl)amino]-3-(4-nitrophenyl)propanoic acid Traditional Name: 2-[benzyl(pyroglutamoyl)amino]-3-(4-nitrophenyl)propionic acid Formula: C21H21N3O6 MolecularWeight: 411.40794

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NC1C(=O)N(CC2=CC=CC=C2)C(CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CC(=O)NC1C(=O)N(CC2=CC=CC=C2)C(CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C21H21N3O6/c25-19-11-10-17(22-19)20(26)23(13-15-4-2-1-3-5-15)18(21(27)28)12-14-6-8-16(9-7-14)24(29)30/h1-9,17-18H,10-13H2,(H,22,25)(H,27,28)