2-[methyl-[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]ethanesulfonic acid

Systemtic Name: 2-[methyl-[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]ethanesulfonic acid Openeye Name: 2-[(2-benzyl-3-sulfanyl-propanoyl)-methyl-amino]ethanesulfonic acid CAS Name: 2-[[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]-methylamino]ethanesulfonic acid IUPAC Name: 2-[(2-benzyl-3-sulfanylpropanoyl)-methylamino]ethanesulfonic acid Traditional Name: 2-[(2-benzyl-3-mercapto-propanoyl)-methyl-amino]ethanesulfonic acid Formula: C13H19NO4S2 MolecularWeight: 317.42426

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCS(=O)(=O)O)C(=O)C(CC1=CC=CC=C1)CS

Isomeric SMILES

CN(CCS(=O)(=O)O)C(=O)C(CC1=CC=CC=C1)CS

InChI

InChI=1S/C13H19NO4S2/c1-14(7-8-20(16,17)18)13(15)12(10-19)9-11-5-3-2-4-6-11/h2-6,12,19H,7-10H2,1H3,(H,16,17,18)