4-fluoranyl-1-[3-[(2-methyl-3-oxidanyl-phenyl)carbonylamino]-2-oxidanyl-4-phenyl-butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 4-fluoranyl-1-[3-[(2-methyl-3-oxidanyl-phenyl)carbonylamino]-2-oxidanyl-4-phenyl-butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 4-fluoro-1-[2-hydroxy-3-[(3-hydroxy-2-methyl-benzoyl)amino]-4-phenyl-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 4-fluoro-1-[2-hydroxy-3-[[(3-hydroxy-2-methylphenyl)-oxomethyl]amino]-1-oxo-4-phenylbutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 4-fluoro-1-[2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 4-fluoro-1-[2-hydroxy-3-[(3-hydroxy-2-methyl-benzoyl)amino]-4-phenyl-butanoyl]proline Formula: C23H25FN2O6 MolecularWeight: 444.452803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1O)C(=O)NC(CC2=CC=CC=C2)C(C(=O)N3CC(CC3C(=O)O)F)O

Isomeric SMILES

CC1=C(C=CC=C1O)C(=O)NC(CC2=CC=CC=C2)C(C(=O)N3CC(CC3C(=O)O)F)O

InChI

InChI=1S/C23H25FN2O6/c1-13-16(8-5-9-19(13)27)21(29)25-17(10-14-6-3-2-4-7-14)20(28)22(30)26-12-15(24)11-18(26)23(31)32/h2-9,15,17-18,20,27-28H,10-12H2,1H3,(H,25,29)(H,31,32)