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

Systemtic Name: ethyl (2R,3S)-3-azido-2-(1H-imidazol-5-ylmethyl)-5-methyl-2-oxidanyl-hexanoate Openeye Name: ethyl (2R,3S)-3-azido-2-hydroxy-2-(1H-imidazol-5-ylmethyl)-5-methyl-hexanoate CAS Name: (2R,3S)-3-azido-2-hydroxy-2-(1H-imidazol-5-ylmethyl)-5-methylhexanoic acid ethyl ester IUPAC Name: ethyl (2R,3S)-3-azido-2-hydroxy-2-(1H-imidazol-5-ylmethyl)-5-methylhexanoate Traditional Name: (2R,3S)-3-azido-2-hydroxy-2-(1H-imidazol-5-ylmethyl)-5-methyl-hexanoic acid ethyl ester Formula: C13H21N5O3 MolecularWeight: 295.33754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CN=CN1)(C(CC(C)C)N=[N+]=[N-])O

Isomeric SMILES

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

InChI

InChI=1S/C13H21N5O3/c1-4-21-12(19)13(20,6-10-7-15-8-16-10)11(17-18-14)5-9(2)3/h7-9,11,20H,4-6H2,1-3H3,(H,15,16)/t11-,13+/m0/s1