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

Systemtic Name: (2S)-2-[[(3S)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]carbonylamino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[[(3S)-1-(4-bromophenyl)sulfonylpiperidine-3-carbonyl]amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[[(3S)-1-(4-bromophenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[[(3S)-1-(4-bromophenyl)sulfonylpiperidine-3-carbonyl]amino]-3-methylbutanoic acid Traditional Name: (2S)-2-[[(3S)-1-brosylnipecotoyl]amino]-3-methyl-butyric acid Formula: C17H23BrN2O5S MolecularWeight: 447.34392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

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

InChI

InChI=1S/C17H23BrN2O5S/c1-11(2)15(17(22)23)19-16(21)12-4-3-9-20(10-12)26(24,25)14-7-5-13(18)6-8-14/h5-8,11-12,15H,3-4,9-10H2,1-2H3,(H,19,21)(H,22,23)/t12-,15-/m0/s1