1-[3-azanyl-2-[(1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[3-azanyl-2-[(1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[3-amino-2-[(1-formyl-3-phenyl-propyl)amino]propanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[3-amino-1-oxo-2-[(1-oxo-4-phenylbutan-2-yl)amino]propyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[3-amino-2-[(1-oxo-4-phenylbutan-2-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[3-amino-2-[(1-formyl-3-phenyl-propyl)amino]propanoyl]proline Formula: C18H25N3O4 MolecularWeight: 347.4088

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CN)NC(CCC2=CC=CC=C2)C=O)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C(CN)NC(CCC2=CC=CC=C2)C=O)C(=O)O

InChI

InChI=1S/C18H25N3O4/c19-11-15(17(23)21-10-4-7-16(21)18(24)25)20-14(12-22)9-8-13-5-2-1-3-6-13/h1-3,5-6,12,14-16,20H,4,7-11,19H2,(H,24,25)