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

Systemtic Name: (2S)-3-methyl-2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylamino]pentanoic acid Openeye Name: (2S)-3-methyl-2-[[1-(p-tolylsulfonyl)piperidine-4-carbonyl]amino]pentanoic acid CAS Name: (2S)-3-methyl-2-[[[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]pentanoic acid IUPAC Name: (2S)-3-methyl-2-[[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]pentanoic acid Traditional Name: (2S)-3-methyl-2-[(1-tosylisonipecotoyl)amino]valeric acid Formula: C19H28N2O5S MolecularWeight: 396.50102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O5S/c1-4-14(3)17(19(23)24)20-18(22)15-9-11-21(12-10-15)27(25,26)16-7-5-13(2)6-8-16/h5-8,14-15,17H,4,9-12H2,1-3H3,(H,20,22)(H,23,24)/t14?,17-/m0/s1