sodium 2-[[(2R)-2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]ethanesulfonate

Systemtic Name: sodium 2-[[(2R)-2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]ethanesulfonate Openeye Name: sodium 2-[[(2R)-2-benzyl-3-sulfanyl-propanoyl]amino]ethanesulfonate CAS Name: sodium 2-[[(2R)-2-(mercaptomethyl)-1-oxo-3-phenylpropyl]amino]ethanesulfonate IUPAC Name: sodium 2-[[(2R)-2-benzyl-3-sulfanylpropanoyl]amino]ethanesulfonate Traditional Name: sodium 2-[[(2R)-2-benzyl-3-mercapto-propanoyl]amino]ethanesulfonate Formula: C12H16NNaO4S2 MolecularWeight: 325.37951

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CS)C(=O)NCCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](CS)C(=O)NCCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C12H17NO4S2.Na/c14-12(13-6-7-19(15,16)17)11(9-18)8-10-4-2-1-3-5-10;/h1-5,11,18H,6-9H2,(H,13,14)(H,15,16,17);/q;+1/p-1/t11-;/m0./s1