(2R,3S)-3-[(4-acetamidophenyl)carbamoyl]-4-oxidanylidene-4-phenoxy-2-phenoxycarbonyl-butanoic acid

Systemtic Name: (2R,3S)-3-[(4-acetamidophenyl)carbamoyl]-4-oxidanylidene-4-phenoxy-2-phenoxycarbonyl-butanoic acid Openeye Name: (2R,3S)-3-[(4-acetamidophenyl)carbamoyl]-4-oxo-4-phenoxy-2-phenoxycarbonyl-butanoic acid CAS Name: (2R,3S)-3-[(4-acetamidoanilino)-oxomethyl]-4-oxo-2-[oxo(phenoxy)methyl]-4-phenoxybutanoic acid IUPAC Name: (2R,3S)-3-[(4-acetamidophenyl)carbamoyl]-4-oxo-4-phenoxy-2-phenoxycarbonylbutanoic acid Traditional Name: (2R,3S)-3-[(4-acetamidophenyl)carbamoyl]-2-carbophenoxy-4-keto-4-phenoxy-butyric acid Formula: C26H22N2O8 MolecularWeight: 490.46148

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)C(C(C(=O)O)C(=O)OC2=CC=CC=C2)C(=O)OC3=CC=CC=C3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)[C@H]([C@H](C(=O)O)C(=O)OC2=CC=CC=C2)C(=O)OC3=CC=CC=C3

InChI

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