methyl (12R,13R)-12-azanyl-13-oxidanyl-octadecanoate

Systemtic Name: methyl (12R,13R)-12-azanyl-13-oxidanyl-octadecanoate Openeye Name: methyl (12R,13R)-12-amino-13-hydroxy-octadecanoate CAS Name: (12R,13R)-12-amino-13-hydroxyoctadecanoic acid methyl ester IUPAC Name: methyl (12R,13R)-12-amino-13-hydroxyoctadecanoate Traditional Name: (12R,13R)-12-amino-13-hydroxy-stearic acid methyl ester Formula: C19H39NO3 MolecularWeight: 329.51786

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(CCCCCCCCCCC(=O)OC)N)O

Isomeric SMILES

CCCCC[C@H]([C@@H](CCCCCCCCCCC(=O)OC)N)O

InChI

InChI=1S/C19H39NO3/c1-3-4-11-15-18(21)17(20)14-12-9-7-5-6-8-10-13-16-19(22)23-2/h17-18,21H,3-16,20H2,1-2H3/t17-,18-/m1/s1