(2S)-2-[[1-(4-ethanoylphenyl)sulfonylpiperidin-3-yl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: (2S)-2-[[1-(4-ethanoylphenyl)sulfonylpiperidin-3-yl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-2-[[1-(4-acetylphenyl)sulfonylpiperidine-3-carbonyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[[[1-(4-acetylphenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[[1-(4-acetylphenyl)sulfonylpiperidine-3-carbonyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[[1-(4-acetylphenyl)sulfonylnipecotoyl]amino]-4-(methylthio)butyric acid Formula: C19H26N2O6S2 MolecularWeight: 442.54954

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)N[C@@H](CCSC)C(=O)O

InChI

InChI=1S/C19H26N2O6S2/c1-13(22)14-5-7-16(8-6-14)29(26,27)21-10-3-4-15(12-21)18(23)20-17(19(24)25)9-11-28-2/h5-8,15,17H,3-4,9-12H2,1-2H3,(H,20,23)(H,24,25)/t15?,17-/m0/s1