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

Systemtic Name: (3S)-3-acetamido-4-[[4-(2-aminocarbonylphenyl)phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-acetamido-4-[4-(2-carbamoylphenyl)anilino]-4-oxo-butanoic acid CAS Name: (3S)-3-acetamido-4-[4-(2-carbamoylphenyl)anilino]-4-oxobutanoic acid IUPAC Name: (3S)-3-acetamido-4-[4-(2-carbamoylphenyl)anilino]-4-oxobutanoic acid Traditional Name: (3S)-3-acetamido-4-[4-(2-carbamoylphenyl)anilino]-4-keto-butyric acid Formula: C19H19N3O5 MolecularWeight: 369.37126

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)O)C(=O)NC1=CC=C(C=C1)C2=CC=CC=C2C(=O)N

Isomeric SMILES

CC(=O)N[C@@H](CC(=O)O)C(=O)NC1=CC=C(C=C1)C2=CC=CC=C2C(=O)N

InChI

InChI=1S/C19H19N3O5/c1-11(23)21-16(10-17(24)25)19(27)22-13-8-6-12(7-9-13)14-4-2-3-5-15(14)18(20)26/h2-9,16H,10H2,1H3,(H2,20,26)(H,21,23)(H,22,27)(H,24,25)/t16-/m0/s1