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

Systemtic Name: [[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]methanesulfonic acid Openeye Name: [(2-benzyl-3-sulfanyl-propanoyl)amino]methanesulfonic acid CAS Name: [[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]amino]methanesulfonic acid IUPAC Name: [(2-benzyl-3-sulfanylpropanoyl)amino]methanesulfonic acid Traditional Name: [(2-benzyl-3-mercapto-propanoyl)amino]methanesulfonic acid Formula: C11H15NO4S2 MolecularWeight: 289.3711

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15NO4S2/c13-11(12-8-18(14,15)16)10(7-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,12,13)(H,14,15,16)