(2S)-4-methyl-2-[[1-(phenylsulfonyl)piperidin-3-yl]carbonylamino]pentanoic acid

Systemtic Name: (2S)-4-methyl-2-[[1-(phenylsulfonyl)piperidin-3-yl]carbonylamino]pentanoic acid Openeye Name: (2S)-2-[[1-(benzenesulfonyl)piperidine-3-carbonyl]amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[[1-(benzenesulfonyl)-3-piperidinyl]-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[1-(benzenesulfonyl)piperidine-3-carbonyl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[(1-besylnipecotoyl)amino]-4-methyl-valeric acid Formula: C18H26N2O5S MolecularWeight: 382.47444

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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=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O5S/c1-13(2)11-16(18(22)23)19-17(21)14-7-6-10-20(12-14)26(24,25)15-8-4-3-5-9-15/h3-5,8-9,13-14,16H,6-7,10-12H2,1-2H3,(H,19,21)(H,22,23)/t14?,16-/m0/s1