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

Systemtic Name: 2-[4-[[(2S)-2-(2-methylpropanoylamino)-4-oxidanyl-4-oxidanylidene-butanoyl]amino]phenyl]benzoic acid Openeye Name: 2-[4-[[(2S)-4-hydroxy-2-(2-methylpropanoylamino)-4-oxo-butanoyl]amino]phenyl]benzoic acid CAS Name: 2-[4-[[(2S)-4-hydroxy-2-[(2-methyl-1-oxopropyl)amino]-1,4-dioxobutyl]amino]phenyl]benzoic acid IUPAC Name: 2-[4-[[(2S)-4-hydroxy-2-(2-methylpropanoylamino)-4-oxobutanoyl]amino]phenyl]benzoic acid Traditional Name: 2-[4-[[(2S)-4-hydroxy-2-(isobutyrylamino)-4-keto-butanoyl]amino]phenyl]benzoic acid Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O6/c1-12(2)19(26)23-17(11-18(24)25)20(27)22-14-9-7-13(8-10-14)15-5-3-4-6-16(15)21(28)29/h3-10,12,17H,11H2,1-2H3,(H,22,27)(H,23,26)(H,24,25)(H,28,29)/t17-/m0/s1