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

Systemtic Name: (2S)-2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-4-methylsulfanyl-2-[[1-(p-tolylsulfonyl)piperidine-4-carbonyl]amino]butanoate CAS Name: (2S)-2-[[[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-[(1-tosylisonipecotoyl)amino]butyrate Formula: C18H25N2O5S2- MolecularWeight: 413.5315

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC(CCSC)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N[C@@H](CCSC)C(=O)[O-]

InChI

InChI=1S/C18H26N2O5S2/c1-13-3-5-15(6-4-13)27(24,25)20-10-7-14(8-11-20)17(21)19-16(18(22)23)9-12-26-2/h3-6,14,16H,7-12H2,1-2H3,(H,19,21)(H,22,23)/p-1/t16-/m0/s1