2-azanyl-2-(hydroxymethyl)-5-methyl-3-oxidanylidene-hex-4-enoic acid

Systemtic Name: 2-azanyl-2-(hydroxymethyl)-5-methyl-3-oxidanylidene-hex-4-enoic acid Openeye Name: 2-amino-2-(hydroxymethyl)-5-methyl-3-oxo-hex-4-enoic acid CAS Name: 2-amino-2-(hydroxymethyl)-5-methyl-3-oxo-4-hexenoic acid IUPAC Name: 2-amino-2-(hydroxymethyl)-5-methyl-3-oxohex-4-enoic acid Traditional Name: 2-amino-3-keto-5-methyl-2-methylol-hex-4-enoic acid Formula: C8H13NO4 MolecularWeight: 187.19312

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)C(CO)(C(=O)O)N)C

Isomeric SMILES

CC(=CC(=O)C(CO)(C(=O)O)N)C

InChI

InChI=1S/C8H13NO4/c1-5(2)3-6(11)8(9,4-10)7(12)13/h3,10H,4,9H2,1-2H3,(H,12,13)