3-oxidanyl-2-[2-(phenylmethylsulfanyl)ethanoylamino]propanoic acid

Systemtic Name: 3-oxidanyl-2-[2-(phenylmethylsulfanyl)ethanoylamino]propanoic acid Openeye Name: 2-[(2-benzylsulfanylacetyl)amino]-3-hydroxy-propanoic acid CAS Name: 3-hydroxy-2-[[1-oxo-2-(phenylmethylthio)ethyl]amino]propanoic acid IUPAC Name: 2-[(2-benzylsulfanylacetyl)amino]-3-hydroxypropanoic acid Traditional Name: 2-[[2-(benzylthio)acetyl]amino]-3-hydroxy-propionic acid Formula: C12H15NO4S MolecularWeight: 269.3168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO4S/c14-6-10(12(16)17)13-11(15)8-18-7-9-4-2-1-3-5-9/h1-5,10,14H,6-8H2,(H,13,15)(H,16,17)