3-azanyl-4-[2-(2-formamido-3-oxidanyl-3-oxidanylidene-propyl)-6-methyl-phenyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-azanyl-4-[2-(2-formamido-3-oxidanyl-3-oxidanylidene-propyl)-6-methyl-phenyl]-4-oxidanylidene-butanoic acid Openeye Name: 3-amino-4-[2-(2-formamido-3-hydroxy-3-oxo-propyl)-6-methyl-phenyl]-4-oxo-butanoic acid CAS Name: 3-amino-4-[2-(2-formamido-3-hydroxy-3-oxopropyl)-6-methylphenyl]-4-oxobutanoic acid IUPAC Name: 3-amino-4-[2-(2-formamido-3-hydroxy-3-oxopropyl)-6-methylphenyl]-4-oxobutanoic acid Traditional Name: 3-amino-4-[2-(2-formamido-3-hydroxy-3-keto-propyl)-6-methyl-phenyl]-4-keto-butyric acid Formula: C15H18N2O6 MolecularWeight: 322.31322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)CC(C(=O)O)NC=O)C(=O)C(CC(=O)O)N

Isomeric SMILES

CC1=C(C(=CC=C1)CC(C(=O)O)NC=O)C(=O)C(CC(=O)O)N

InChI

InChI=1S/C15H18N2O6/c1-8-3-2-4-9(5-11(15(22)23)17-7-18)13(8)14(21)10(16)6-12(19)20/h2-4,7,10-11H,5-6,16H2,1H3,(H,17,18)(H,19,20)(H,22,23)