ethyl (2R,3S)-2-(1H-imidazol-5-ylmethyl)-5-methyl-2,3-bis(oxidanyl)hexanoate

Systemtic Name: ethyl (2R,3S)-2-(1H-imidazol-5-ylmethyl)-5-methyl-2,3-bis(oxidanyl)hexanoate Openeye Name: ethyl (2R,3S)-2,3-dihydroxy-2-(1H-imidazol-5-ylmethyl)-5-methyl-hexanoate CAS Name: (2R,3S)-2,3-dihydroxy-2-(1H-imidazol-5-ylmethyl)-5-methylhexanoic acid ethyl ester IUPAC Name: ethyl (2R,3S)-2,3-dihydroxy-2-(1H-imidazol-5-ylmethyl)-5-methylhexanoate Traditional Name: (2R,3S)-2,3-dihydroxy-2-(1H-imidazol-5-ylmethyl)-5-methyl-hexanoic acid ethyl ester Formula: C13H22N2O4 MolecularWeight: 270.32478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CN=CN1)(C(CC(C)C)O)O

Isomeric SMILES

CCOC(=O)[C@@](CC1=CN=CN1)([C@H](CC(C)C)O)O

InChI

InChI=1S/C13H22N2O4/c1-4-19-12(17)13(18,11(16)5-9(2)3)6-10-7-14-8-15-10/h7-9,11,16,18H,4-6H2,1-3H3,(H,14,15)/t11-,13+/m0/s1