(2R,3S)-5-methyl-N,2-bis(oxidanyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-hexanamide

Systemtic Name: (2R,3S)-5-methyl-N,2-bis(oxidanyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-hexanamide Openeye Name: (2R,3S)-2-hydroxy-5-methyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)hexanehydroxamic acid CAS Name: (2R,3S)-N,2-dihydroxy-5-methyl-3-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]hexanamide IUPAC Name: (2R,3S)-N,2-dihydroxy-5-methyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)hexanamide Traditional Name: (2R,3S)-2-hydroxy-5-methyl-3-[4-(2-pyrimidyl)piperazine-1-carbonyl]hexanehydroxamic acid Formula: C16H25N5O4 MolecularWeight: 351.4008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(C(=O)NO)O)C(=O)N1CCN(CC1)C2=NC=CC=N2

Isomeric SMILES

CC(C)C[C@@H]([C@H](C(=O)NO)O)C(=O)N1CCN(CC1)C2=NC=CC=N2

InChI

InChI=1S/C16H25N5O4/c1-11(2)10-12(13(22)14(23)19-25)15(24)20-6-8-21(9-7-20)16-17-4-3-5-18-16/h3-5,11-13,22,25H,6-10H2,1-2H3,(H,19,23)/t12-,13+/m0/s1