2-[4-[[(2S)-2-(2-methoxyethanoylamino)-4-oxidanyl-4-oxidanylidene-butanoyl]amino]phenyl]benzoic acid

Systemtic Name: 2-[4-[[(2S)-2-(2-methoxyethanoylamino)-4-oxidanyl-4-oxidanylidene-butanoyl]amino]phenyl]benzoic acid Openeye Name: 2-[4-[[(2S)-4-hydroxy-2-[(2-methoxyacetyl)amino]-4-oxo-butanoyl]amino]phenyl]benzoic acid CAS Name: 2-[4-[[(2S)-4-hydroxy-2-[(2-methoxy-1-oxoethyl)amino]-1,4-dioxobutyl]amino]phenyl]benzoic acid IUPAC Name: 2-[4-[[(2S)-4-hydroxy-2-[(2-methoxyacetyl)amino]-4-oxobutanoyl]amino]phenyl]benzoic acid Traditional Name: 2-[4-[[(2S)-4-hydroxy-4-keto-2-[(2-methoxyacetyl)amino]butanoyl]amino]phenyl]benzoic acid Formula: C20H20N2O7 MolecularWeight: 400.382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O7/c1-29-11-17(23)22-16(10-18(24)25)19(26)21-13-8-6-12(7-9-13)14-4-2-3-5-15(14)20(27)28/h2-9,16H,10-11H2,1H3,(H,21,26)(H,22,23)(H,24,25)(H,27,28)/t16-/m0/s1