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

Systemtic Name: (2S)-2-[[(3S)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[[(3S)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[(3S)-1-(4-methoxyphenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[[(3S)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[(3S)-1-(4-methoxyphenyl)sulfonylnipecotoyl]amino]-4-(methylthio)butyrate Formula: C18H25N2O6S2- MolecularWeight: 429.5309

Click to see the large picture

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)N2CCC[C@@H](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)/p-1/t13-,16-/m0/s1