(3S)-3-acetyloxy-4-[(2-aminocarbonylphenyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-3-acetyloxy-4-[(2-aminocarbonylphenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-acetoxy-4-(2-carbamoylanilino)-4-oxo-butanoic acid CAS Name: (3S)-3-acetyloxy-4-(2-carbamoylanilino)-4-oxobutanoic acid IUPAC Name: (3S)-3-acetyloxy-4-(2-carbamoylanilino)-4-oxobutanoic acid Traditional Name: (3S)-3-acetoxy-4-(2-carbamoylanilino)-4-keto-butyric acid Formula: C13H14N2O6 MolecularWeight: 294.26006

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CC(=O)O)C(=O)NC1=CC=CC=C1C(=O)N

Isomeric SMILES

CC(=O)O[C@@H](CC(=O)O)C(=O)NC1=CC=CC=C1C(=O)N

InChI

InChI=1S/C13H14N2O6/c1-7(16)21-10(6-11(17)18)13(20)15-9-5-3-2-4-8(9)12(14)19/h2-5,10H,6H2,1H3,(H2,14,19)(H,15,20)(H,17,18)/t10-/m0/s1