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

Systemtic Name: 3,3-dimethyl-1-[3-[(2-methyl-3-oxidanyl-phenyl)carbonylamino]-2-oxidanyl-4-phenyl-butanoyl]-4-oxidanylidene-pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-hydroxy-3-[(3-hydroxy-2-methyl-benzoyl)amino]-4-phenyl-butanoyl]-3,3-dimethyl-4-oxo-pyrrolidine-2-carboxylic acid CAS Name: 1-[2-hydroxy-3-[[(3-hydroxy-2-methylphenyl)-oxomethyl]amino]-1-oxo-4-phenylbutyl]-3,3-dimethyl-4-oxo-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl]-3,3-dimethyl-4-oxopyrrolidine-2-carboxylic acid Traditional Name: 1-[2-hydroxy-3-[(3-hydroxy-2-methyl-benzoyl)amino]-4-phenyl-butanoyl]-4-keto-3,3-dimethyl-proline Formula: C25H28N2O7 MolecularWeight: 468.49902

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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(=O)C(C3C(=O)O)(C)C)O

Isomeric SMILES

CC1=C(C=CC=C1O)C(=O)NC(CC2=CC=CC=C2)C(C(=O)N3CC(=O)C(C3C(=O)O)(C)C)O

InChI

InChI=1S/C25H28N2O7/c1-14-16(10-7-11-18(14)28)22(31)26-17(12-15-8-5-4-6-9-15)20(30)23(32)27-13-19(29)25(2,3)21(27)24(33)34/h4-11,17,20-21,28,30H,12-13H2,1-3H3,(H,26,31)(H,33,34)