[(2S)-2-(hydroxymethyl)-4-(methylamino)-4-oxidanylidene-butyl] ethanoate

Systemtic Name: [(2S)-2-(hydroxymethyl)-4-(methylamino)-4-oxidanylidene-butyl] ethanoate Openeye Name: [(2S)-2-(hydroxymethyl)-4-(methylamino)-4-oxo-butyl] acetate CAS Name: acetic acid [(2S)-2-(hydroxymethyl)-4-(methylamino)-4-oxobutyl] ester IUPAC Name: [(2S)-2-(hydroxymethyl)-4-(methylamino)-4-oxobutyl] acetate Traditional Name: acetic acid [(2S)-4-keto-4-(methylamino)-2-methylol-butyl] ester Formula: C8H15NO4 MolecularWeight: 189.209

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(CC(=O)NC)CO

Isomeric SMILES

CC(=O)OC[C@@H](CC(=O)NC)CO

InChI

InChI=1S/C8H15NO4/c1-6(11)13-5-7(4-10)3-8(12)9-2/h7,10H,3-5H2,1-2H3,(H,9,12)/t7-/m0/s1