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

Systemtic Name: (2S)-2-[[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-2-[[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[[[1-(4-methoxyphenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[[1-(4-methoxyphenyl)sulfonylnipecotoyl]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)N2CCCC(C2)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)N[C@@H](CCSC)C(=O)O

InChI

InChI=1S/C18H26N2O6S2/c1-26-14-5-7-15(8-6-14)28(24,25)20-10-3-4-13(12-20)17(21)19-16(18(22)23)9-11-27-2/h5-8,13,16H,3-4,9-12H2,1-2H3,(H,19,21)(H,22,23)/t13?,16-/m0/s1