3-methylsulfanyl-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: 3-methylsulfanyl-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-methylsulfanyl-propanoic acid CAS Name: 3-(methylthio)-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 3-methylsulfanyl-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-3-(methylthio)propionic acid Formula: C12H15NO4S MolecularWeight: 269.3168

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(C(=O)O)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CSCC(C(=O)O)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C12H15NO4S/c1-18-8-10(11(14)15)13-12(16)17-7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,13,16)(H,14,15)