3-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]propane-1-sulfonic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CS)C(=O)NCCCS(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(CS)C(=O)NCCCS(=O)(=O)O

InChI

InChI=1S/C13H19NO4S2/c15-13(14-7-4-8-20(16,17)18)12(10-19)9-11-5-2-1-3-6-11/h1-3,5-6,12,19H,4,7-10H2,(H,14,15)(H,16,17,18)