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

Systemtic Name: (2S)-2-[[1-(4-bromophenyl)sulfonylpiperidin-4-yl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-2-[[1-(4-bromophenyl)sulfonylpiperidine-4-carbonyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[[[1-(4-bromophenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[[1-(4-bromophenyl)sulfonylpiperidine-4-carbonyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[(1-brosylisonipecotoyl)amino]-4-(methylthio)butyric acid Formula: C17H23BrN2O5S2 MolecularWeight: 479.40892

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CSCC[C@@H](C(=O)O)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C17H23BrN2O5S2/c1-26-11-8-15(17(22)23)19-16(21)12-6-9-20(10-7-12)27(24,25)14-4-2-13(18)3-5-14/h2-5,12,15H,6-11H2,1H3,(H,19,21)(H,22,23)/t15-/m0/s1