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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O5S/c1-3-13(2)16(18(22)23)19-17(21)14-8-7-11-20(12-14)26(24,25)15-9-5-4-6-10-15/h4-6,9-10,13-14,16H,3,7-8,11-12H2,1-2H3,(H,19,21)(H,22,23)/t13?,14?,16-/m0/s1