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

Systemtic Name: (2S)-2-[[1-(4-ethanoylphenyl)sulfonylpiperidin-3-yl]carbonylamino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[[1-(4-acetylphenyl)sulfonylpiperidine-3-carbonyl]amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[[1-(4-acetylphenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[[1-(4-acetylphenyl)sulfonylpiperidine-3-carbonyl]amino]-3-methylbutanoic acid Traditional Name: (2S)-2-[[1-(4-acetylphenyl)sulfonylnipecotoyl]amino]-3-methyl-butyric acid Formula: C19H26N2O6S MolecularWeight: 410.48454

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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)C(=O)C

Isomeric SMILES

CC(C)[C@@H](C(=O)O)NC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)C

InChI

InChI=1S/C19H26N2O6S/c1-12(2)17(19(24)25)20-18(23)15-5-4-10-21(11-15)28(26,27)16-8-6-14(7-9-16)13(3)22/h6-9,12,15,17H,4-5,10-11H2,1-3H3,(H,20,23)(H,24,25)/t15?,17-/m0/s1