4-methyl-2-[2-methyl-3-[2-[(4-methylphenyl)sulfonylmethylsulfanyl]ethylamino]-3-oxidanylidene-propyl]hexanoic acid

Systemtic Name: 4-methyl-2-[2-methyl-3-[2-[(4-methylphenyl)sulfonylmethylsulfanyl]ethylamino]-3-oxidanylidene-propyl]hexanoic acid Openeye Name: 4-methyl-2-[2-methyl-3-oxo-3-[2-(p-tolylsulfonylmethylsulfanyl)ethylamino]propyl]hexanoic acid CAS Name: 4-methyl-2-[2-methyl-3-[2-[(4-methylphenyl)sulfonylmethylthio]ethylamino]-3-oxopropyl]hexanoic acid IUPAC Name: 4-methyl-2-[2-methyl-3-[2-[(4-methylphenyl)sulfonylmethylsulfanyl]ethylamino]-3-oxopropyl]hexanoic acid Traditional Name: 2-[3-keto-2-methyl-3-[2-(tosylmethylthio)ethylamino]propyl]-4-methyl-hexanoic acid Formula: C21H33NO5S2 MolecularWeight: 443.62042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC(CC(C)C(=O)NCCSCS(=O)(=O)C1=CC=C(C=C1)C)C(=O)O

Isomeric SMILES

CCC(C)CC(CC(C)C(=O)NCCSCS(=O)(=O)C1=CC=C(C=C1)C)C(=O)O

InChI

InChI=1S/C21H33NO5S2/c1-5-15(2)12-18(21(24)25)13-17(4)20(23)22-10-11-28-14-29(26,27)19-8-6-16(3)7-9-19/h6-9,15,17-18H,5,10-14H2,1-4H3,(H,22,23)(H,24,25)