(2S)-4-methylsulfanyl-2-[[1-(phenylsulfonyl)piperidin-3-yl]carbonylamino]butanoic acid

Systemtic Name: (2S)-4-methylsulfanyl-2-[[1-(phenylsulfonyl)piperidin-3-yl]carbonylamino]butanoic acid Openeye Name: (2S)-2-[[1-(benzenesulfonyl)piperidine-3-carbonyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[[[1-(benzenesulfonyl)-3-piperidinyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[[1-(benzenesulfonyl)piperidine-3-carbonyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[(1-besylnipecotoyl)amino]-4-(methylthio)butyric acid Formula: C17H24N2O5S2 MolecularWeight: 400.51286

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CSCC[C@@H](C(=O)O)NC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H24N2O5S2/c1-25-11-9-15(17(21)22)18-16(20)13-6-5-10-19(12-13)26(23,24)14-7-3-2-4-8-14/h2-4,7-8,13,15H,5-6,9-12H2,1H3,(H,18,20)(H,21,22)/t13?,15-/m0/s1