3-methylsulfanyl-2-[(phenylmethyl)carbamoylamino]propanoic acid

Systemtic Name: 3-methylsulfanyl-2-[(phenylmethyl)carbamoylamino]propanoic acid Openeye Name: 2-(benzylcarbamoylamino)-3-methylsulfanyl-propanoic acid CAS Name: 3-(methylthio)-2-[[oxo-[(phenylmethyl)amino]methyl]amino]propanoic acid IUPAC Name: 2-(benzylcarbamoylamino)-3-methylsulfanylpropanoic acid Traditional Name: 2-(benzylcarbamoylamino)-3-(methylthio)propionic acid Formula: C12H16N2O3S MolecularWeight: 268.33204

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(C(=O)O)NC(=O)NCC1=CC=CC=C1

Isomeric SMILES

CSCC(C(=O)O)NC(=O)NCC1=CC=CC=C1

InChI

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