(2R)-2-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: (2R)-2-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: (2R)-2-[[1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: (2R)-2-[[[1-(4-methoxyphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2R)-2-[[1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: (2R)-2-[[1-(4-methoxyphenyl)sulfonylisonipecotoyl]amino]-4-(methylthio)butyric acid Formula: C18H26N2O6S2 MolecularWeight: 430.53884

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N[C@H](CCSC)C(=O)O

InChI

InChI=1S/C18H26N2O6S2/c1-26-14-3-5-15(6-4-14)28(24,25)20-10-7-13(8-11-20)17(21)19-16(18(22)23)9-12-27-2/h3-6,13,16H,7-12H2,1-2H3,(H,19,21)(H,22,23)/t16-/m1/s1