(2S)-2-benzamido-2-(hydroxymethyl)-3-methyl-butanoate

Systemtic Name: (2S)-2-benzamido-2-(hydroxymethyl)-3-methyl-butanoate Openeye Name: (2S)-2-benzamido-2-(hydroxymethyl)-3-methyl-butanoate CAS Name: (2S)-2-benzamido-2-(hydroxymethyl)-3-methylbutanoate IUPAC Name: (2S)-2-benzamido-2-(hydroxymethyl)-3-methylbutanoate Traditional Name: (2S)-2-benzamido-3-methyl-2-methylol-butyrate Formula: C13H16NO4- MolecularWeight: 250.27044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CO)(C(=O)[O-])NC(=O)C1=CC=CC=C1

Isomeric SMILES

CC(C)[C@](CO)(C(=O)[O-])NC(=O)C1=CC=CC=C1

InChI

InChI=1S/C13H17NO4/c1-9(2)13(8-15,12(17)18)14-11(16)10-6-4-3-5-7-10/h3-7,9,15H,8H2,1-2H3,(H,14,16)(H,17,18)/p-1/t13-/m1/s1