(2S)-2-[[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]carbonylamino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]carbonylamino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[[1-(4-methoxyphenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[1-(4-methoxyphenyl)sulfonylnipecotoyl]amino]-4-methyl-valeric acid Formula: C19H28N2O6S MolecularWeight: 412.50042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O6S/c1-13(2)11-17(19(23)24)20-18(22)14-5-4-10-21(12-14)28(25,26)16-8-6-15(27-3)7-9-16/h6-9,13-14,17H,4-5,10-12H2,1-3H3,(H,20,22)(H,23,24)/t14?,17-/m0/s1