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

Systemtic Name: (2S)-2-[[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-2-[[1-(4-acetamidophenyl)sulfonylpiperidine-4-carbonyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[[[1-(4-acetamidophenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[[1-(4-acetamidophenyl)sulfonylpiperidine-4-carbonyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[[1-(4-acetamidophenyl)sulfonylisonipecotoyl]amino]-4-(methylthio)butyric acid Formula: C19H27N3O6S2 MolecularWeight: 457.56418

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N[C@@H](CCSC)C(=O)O

InChI

InChI=1S/C19H27N3O6S2/c1-13(23)20-15-3-5-16(6-4-15)30(27,28)22-10-7-14(8-11-22)18(24)21-17(19(25)26)9-12-29-2/h3-6,14,17H,7-12H2,1-2H3,(H,20,23)(H,21,24)(H,25,26)/t17-/m0/s1