3-oxidanyl-2-[(phenylmethylsulfanyl)carbonylamino]butanoic acid

Systemtic Name: 3-oxidanyl-2-[(phenylmethylsulfanyl)carbonylamino]butanoic acid Openeye Name: 2-(benzylsulfanylcarbonylamino)-3-hydroxy-butanoic acid CAS Name: 3-hydroxy-2-[[oxo-(phenylmethylthio)methyl]amino]butanoic acid IUPAC Name: 2-(benzylsulfanylcarbonylamino)-3-hydroxybutanoic acid Traditional Name: 2-[(benzylthio)carbonylamino]-3-hydroxy-butyric acid Formula: C12H15NO4S MolecularWeight: 269.3168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)O)NC(=O)SCC1=CC=CC=C1)O

Isomeric SMILES

CC(C(C(=O)O)NC(=O)SCC1=CC=CC=C1)O

InChI

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