(2S)-4-azanyl-2-[carboxymethyl-[(3,5-dimethyl-2-oxidanyl-phenyl)methyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (2S)-4-azanyl-2-[carboxymethyl-[(3,5-dimethyl-2-oxidanyl-phenyl)methyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (2S)-4-amino-2-[carboxymethyl-[(2-hydroxy-3,5-dimethyl-phenyl)methyl]amino]-4-oxo-butanoic acid CAS Name: (2S)-4-amino-2-[carboxymethyl-[(2-hydroxy-3,5-dimethylphenyl)methyl]amino]-4-oxobutanoic acid IUPAC Name: (2S)-4-amino-2-[carboxymethyl-[(2-hydroxy-3,5-dimethylphenyl)methyl]amino]-4-oxobutanoic acid Traditional Name: (2S)-4-amino-2-[carboxymethyl-(2-hydroxy-3,5-dimethyl-benzyl)amino]-4-keto-butyric acid Formula: C15H20N2O6 MolecularWeight: 324.3291

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=C(C(=C1)CN(CC(=O)O)[C@@H](CC(=O)N)C(=O)O)O)C

InChI

InChI=1S/C15H20N2O6/c1-8-3-9(2)14(21)10(4-8)6-17(7-13(19)20)11(15(22)23)5-12(16)18/h3-4,11,21H,5-7H2,1-2H3,(H2,16,18)(H,19,20)(H,22,23)/t11-/m0/s1