(2R,3S)-5-methyl-2-oxidanyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-hexanoic acid

Systemtic Name: (2R,3S)-5-methyl-2-oxidanyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-hexanoic acid Openeye Name: (2R,3S)-2-hydroxy-5-methyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)hexanoic acid CAS Name: (2R,3S)-2-hydroxy-5-methyl-3-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]hexanoic acid IUPAC Name: (2R,3S)-2-hydroxy-5-methyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)hexanoic acid Traditional Name: (2R,3S)-2-hydroxy-5-methyl-3-[4-(2-pyrimidyl)piperazine-1-carbonyl]hexanoic acid Formula: C16H24N4O4 MolecularWeight: 336.38616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(C(=O)O)O)C(=O)N1CCN(CC1)C2=NC=CC=N2

Isomeric SMILES

CC(C)C[C@@H]([C@H](C(=O)O)O)C(=O)N1CCN(CC1)C2=NC=CC=N2

InChI

InChI=1S/C16H24N4O4/c1-11(2)10-12(13(21)15(23)24)14(22)19-6-8-20(9-7-19)16-17-4-3-5-18-16/h3-5,11-13,21H,6-10H2,1-2H3,(H,23,24)/t12-,13+/m0/s1