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

Systemtic Name: (2S,3S)-5-methyl-2-oxidanyl-3-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-hexanoic acid Openeye Name: (2S,3S)-2-hydroxy-5-methyl-3-[4-(2-pyridyl)piperazine-1-carbonyl]hexanoic acid CAS Name: (2S,3S)-2-hydroxy-5-methyl-3-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]hexanoic acid IUPAC Name: (2S,3S)-2-hydroxy-5-methyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)hexanoic acid Traditional Name: (2S,3S)-2-hydroxy-5-methyl-3-[4-(2-pyridyl)piperazine-1-carbonyl]hexanoic acid Formula: C17H25N3O4 MolecularWeight: 335.3981

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O4/c1-12(2)11-13(15(21)17(23)24)16(22)20-9-7-19(8-10-20)14-5-3-4-6-18-14/h3-6,12-13,15,21H,7-11H2,1-2H3,(H,23,24)/t13-,15-/m0/s1