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

Systemtic Name: 3-azanyl-4-[2-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)-6-methyl-phenyl]-4-oxidanylidene-butanoic acid Openeye Name: 3-amino-4-[2-(2-amino-3-hydroxy-3-oxo-propyl)-6-methyl-phenyl]-4-oxo-butanoic acid CAS Name: 3-amino-4-[2-(2-amino-3-hydroxy-3-oxopropyl)-6-methylphenyl]-4-oxobutanoic acid IUPAC Name: 3-amino-4-[2-(2-amino-3-hydroxy-3-oxopropyl)-6-methylphenyl]-4-oxobutanoic acid Traditional Name: 3-amino-4-[2-(2-amino-3-hydroxy-3-keto-propyl)-6-methyl-phenyl]-4-keto-butyric acid Formula: C14H18N2O5 MolecularWeight: 294.30312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O5/c1-7-3-2-4-8(5-10(16)14(20)21)12(7)13(19)9(15)6-11(17)18/h2-4,9-10H,5-6,15-16H2,1H3,(H,17,18)(H,20,21)