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

Systemtic Name: (2S)-2-[[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-4-methylsulfanyl-2-[[(3S)-1-(p-tolylsulfonyl)piperidine-3-carbonyl]amino]butanoic acid CAS Name: (2S)-2-[[[(3S)-1-(4-methylphenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[[(3S)-1-(4-methylphenyl)sulfonylpiperidine-3-carbonyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-4-(methylthio)-2-[[(3S)-1-tosylnipecotoyl]amino]butyric acid Formula: C18H26N2O5S2 MolecularWeight: 414.53944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)N[C@@H](CCSC)C(=O)O

InChI

InChI=1S/C18H26N2O5S2/c1-13-5-7-15(8-6-13)27(24,25)20-10-3-4-14(12-20)17(21)19-16(18(22)23)9-11-26-2/h5-8,14,16H,3-4,9-12H2,1-2H3,(H,19,21)(H,22,23)/t14-,16-/m0/s1