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

Systemtic Name: (2S)-2-[[(3S)-1-(4-acetamidophenyl)sulfonylpiperidin-3-yl]carbonylamino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[[(3S)-1-(4-acetamidophenyl)sulfonylpiperidine-3-carbonyl]amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[[(3S)-1-(4-acetamidophenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[[(3S)-1-(4-acetamidophenyl)sulfonylpiperidine-3-carbonyl]amino]-3-methylbutanoic acid Traditional Name: (2S)-2-[[(3S)-1-(4-acetamidophenyl)sulfonylnipecotoyl]amino]-3-methyl-butyric acid Formula: C19H27N3O6S MolecularWeight: 425.49918

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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)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O6S/c1-12(2)17(19(25)26)21-18(24)14-5-4-10-22(11-14)29(27,28)16-8-6-15(7-9-16)20-13(3)23/h6-9,12,14,17H,4-5,10-11H2,1-3H3,(H,20,23)(H,21,24)(H,25,26)/t14-,17-/m0/s1