2-(phenylmethylsulfanyl)-2-(2-sulfanylethanoylamino)propanoic acid

Systemtic Name: 2-(phenylmethylsulfanyl)-2-(2-sulfanylethanoylamino)propanoic acid Openeye Name: 2-benzylsulfanyl-2-[(2-sulfanylacetyl)amino]propanoic acid CAS Name: 2-[(2-mercapto-1-oxoethyl)amino]-2-(phenylmethylthio)propanoic acid IUPAC Name: 2-benzylsulfanyl-2-[(2-sulfanylacetyl)amino]propanoic acid Traditional Name: 2-(benzylthio)-2-[(2-mercaptoacetyl)amino]propionic acid Formula: C12H15NO3S2 MolecularWeight: 285.3824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO3S2/c1-12(11(15)16,13-10(14)7-17)18-8-9-5-3-2-4-6-9/h2-6,17H,7-8H2,1H3,(H,13,14)(H,15,16)