2-(3-methylbutanethioylamino)-3-phenyl-propanoic acid

Systemtic Name: 2-(3-methylbutanethioylamino)-3-phenyl-propanoic acid Openeye Name: 2-(3-methylbutanethioylamino)-3-phenyl-propanoic acid CAS Name: 2-[(3-methyl-1-sulfanylidenebutyl)amino]-3-phenylpropanoic acid IUPAC Name: 2-(3-methylbutanethioylamino)-3-phenylpropanoic acid Traditional Name: 2-(3-methylbutanethioylamino)-3-phenyl-propionic acid Formula: C14H19NO2S MolecularWeight: 265.37116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=S)NC(CC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CC(C)CC(=S)NC(CC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C14H19NO2S/c1-10(2)8-13(18)15-12(14(16)17)9-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,15,18)(H,16,17)