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

Systemtic Name: (2S)-2-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]carbonylamino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[[1-(4-fluorophenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[1-(4-fluorophenyl)sulfonylisonipecotoyl]amino]-4-methyl-valeric acid Formula: C18H25FN2O5S MolecularWeight: 400.464903

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CC(C)C[C@@H](C(=O)O)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C18H25FN2O5S/c1-12(2)11-16(18(23)24)20-17(22)13-7-9-21(10-8-13)27(25,26)15-5-3-14(19)4-6-15/h3-6,12-13,16H,7-11H2,1-2H3,(H,20,22)(H,23,24)/t16-/m0/s1