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

Systemtic Name: (2S)-2-[[(3S)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-2-[[(3S)-1-(4-bromophenyl)sulfonylpiperidine-3-carbonyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[[[(3S)-1-(4-bromophenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[[(3S)-1-(4-bromophenyl)sulfonylpiperidine-3-carbonyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[[(3S)-1-brosylnipecotoyl]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)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CSCC[C@@H](C(=O)O)NC(=O)[C@H]1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C17H23BrN2O5S2/c1-26-10-8-15(17(22)23)19-16(21)12-3-2-9-20(11-12)27(24,25)14-6-4-13(18)5-7-14/h4-7,12,15H,2-3,8-11H2,1H3,(H,19,21)(H,22,23)/t12-,15-/m0/s1