2-azanyl-3-(1-oxidanylidene-1-phenylazanyl-propan-2-yl)sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-(1-oxidanylidene-1-phenylazanyl-propan-2-yl)sulfanyl-propanoic acid Openeye Name: 2-amino-3-(2-anilino-1-methyl-2-oxo-ethyl)sulfanyl-propanoic acid CAS Name: 2-amino-3-[(1-anilino-1-oxopropan-2-yl)thio]propanoic acid IUPAC Name: 2-amino-3-(1-anilino-1-oxopropan-2-yl)sulfanylpropanoic acid Traditional Name: 2-amino-3-[(2-anilino-2-keto-1-methyl-ethyl)thio]propionic acid Formula: C12H16N2O3S MolecularWeight: 268.33204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)SCC(C(=O)O)N

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1)SCC(C(=O)O)N

InChI

InChI=1S/C12H16N2O3S/c1-8(18-7-10(13)12(16)17)11(15)14-9-5-3-2-4-6-9/h2-6,8,10H,7,13H2,1H3,(H,14,15)(H,16,17)