4-methylsulfanyl-2-[[2-(sulfanylmethyl)-1,3-dihydroinden-2-yl]carbonylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[[2-(sulfanylmethyl)-1,3-dihydroinden-2-yl]carbonylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[[2-(sulfanylmethyl)indane-2-carbonyl]amino]butanoic acid CAS Name: 2-[[[2-(mercaptomethyl)-1,3-dihydroinden-2-yl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[2-(sulfanylmethyl)-1,3-dihydroindene-2-carbonyl]amino]butanoic acid Traditional Name: 2-[[2-(mercaptomethyl)indane-2-carbonyl]amino]-4-(methylthio)butyric acid Formula: C16H21NO3S2 MolecularWeight: 339.47284

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1(CC2=CC=CC=C2C1)CS

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1(CC2=CC=CC=C2C1)CS

InChI

InChI=1S/C16H21NO3S2/c1-22-7-6-13(14(18)19)17-15(20)16(10-21)8-11-4-2-3-5-12(11)9-16/h2-5,13,21H,6-10H2,1H3,(H,17,20)(H,18,19)