(2S,3S)-5-methyl-3-[(2R)-2-methyl-4-pyridin-2-yl-piperazin-1-yl]carbonyl-2-oxidanyl-hexanoic acid

Systemtic Name: (2S,3S)-5-methyl-3-[(2R)-2-methyl-4-pyridin-2-yl-piperazin-1-yl]carbonyl-2-oxidanyl-hexanoic acid Openeye Name: (2S,3S)-2-hydroxy-5-methyl-3-[(2R)-2-methyl-4-(2-pyridyl)piperazine-1-carbonyl]hexanoic acid CAS Name: (2S,3S)-2-hydroxy-5-methyl-3-[[(2R)-2-methyl-4-(2-pyridinyl)-1-piperazinyl]-oxomethyl]hexanoic acid IUPAC Name: (2S,3S)-2-hydroxy-5-methyl-3-[(2R)-2-methyl-4-pyridin-2-ylpiperazine-1-carbonyl]hexanoic acid Traditional Name: (2S,3S)-2-hydroxy-5-methyl-3-[(2R)-2-methyl-4-(2-pyridyl)piperazine-1-carbonyl]hexanoic acid Formula: C18H27N3O4 MolecularWeight: 349.42468

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C(CC(C)C)C(C(=O)O)O)C2=CC=CC=N2

Isomeric SMILES

C[C@@H]1CN(CCN1C(=O)[C@@H](CC(C)C)[C@@H](C(=O)O)O)C2=CC=CC=N2

InChI

InChI=1S/C18H27N3O4/c1-12(2)10-14(16(22)18(24)25)17(23)21-9-8-20(11-13(21)3)15-6-4-5-7-19-15/h4-7,12-14,16,22H,8-11H2,1-3H3,(H,24,25)/t13-,14+,16+/m1/s1