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

Systemtic Name: 3-[2-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)-4,6-dimethyl-phenyl]-2-methyl-propanoic acid Openeye Name: 3-[2-(2-amino-3-hydroxy-3-oxo-propyl)-4,6-dimethyl-phenyl]-2-methyl-propanoic acid CAS Name: 3-[2-(2-amino-3-hydroxy-3-oxopropyl)-4,6-dimethylphenyl]-2-methylpropanoic acid IUPAC Name: 3-[2-(2-amino-3-hydroxy-3-oxopropyl)-4,6-dimethylphenyl]-2-methylpropanoic acid Traditional Name: 3-[2-(2-amino-3-hydroxy-3-keto-propyl)-4,6-dimethyl-phenyl]-2-methyl-propionic acid Formula: C15H21NO4 MolecularWeight: 279.33154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO4/c1-8-4-9(2)12(6-10(3)14(17)18)11(5-8)7-13(16)15(19)20/h4-5,10,13H,6-7,16H2,1-3H3,(H,17,18)(H,19,20)