(2R,3S)-4-[(4-acetamidophenyl)amino]-4-oxidanylidene-2,3-bis(phenylcarbonyloxy)butanoate

Systemtic Name: (2R,3S)-4-[(4-acetamidophenyl)amino]-4-oxidanylidene-2,3-bis(phenylcarbonyloxy)butanoate Openeye Name: (2R,3S)-4-(4-acetamidoanilino)-2,3-dibenzoyloxy-4-oxo-butanoate CAS Name: (2R,3S)-4-(4-acetamidoanilino)-2,3-dibenzoyloxy-4-oxobutanoate IUPAC Name: (2R,3S)-4-(4-acetamidoanilino)-2,3-dibenzoyloxy-4-oxobutanoate Traditional Name: (2R,3S)-4-(4-acetamidoanilino)-2,3-dibenzoyloxy-4-keto-butyrate Formula: C26H21N2O8- MolecularWeight: 489.45354

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)C(C(C(=O)[O-])OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)[C@H]([C@H](C(=O)[O-])OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C26H22N2O8/c1-16(29)27-19-12-14-20(15-13-19)28-23(30)21(35-25(33)17-8-4-2-5-9-17)22(24(31)32)36-26(34)18-10-6-3-7-11-18/h2-15,21-22H,1H3,(H,27,29)(H,28,30)(H,31,32)/p-1/t21-,22+/m0/s1