4-methylsulfanyl-2-[(3-methylsulfonylphenyl)carbonylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[(3-methylsulfonylphenyl)carbonylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[(3-methylsulfonylbenzoyl)amino]butanoic acid CAS Name: 2-[[(3-methylsulfonylphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 4-methylsulfanyl-2-[(3-methylsulfonylbenzoyl)amino]butanoic acid Traditional Name: 2-[(3-mesylbenzoyl)amino]-4-(methylthio)butyric acid Formula: C13H17NO5S2 MolecularWeight: 331.40778

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=CC(=CC=C1)S(=O)(=O)C

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=CC(=CC=C1)S(=O)(=O)C

InChI

InChI=1S/C13H17NO5S2/c1-20-7-6-11(13(16)17)14-12(15)9-4-3-5-10(8-9)21(2,18)19/h3-5,8,11H,6-7H2,1-2H3,(H,14,15)(H,16,17)