methyl (2S,3R)-2-azanyl-2-(hydroxymethyl)-3-oxidanyl-14-oxidanylidene-icosanoate

Systemtic Name: methyl (2S,3R)-2-azanyl-2-(hydroxymethyl)-3-oxidanyl-14-oxidanylidene-icosanoate Openeye Name: methyl (2S,3R)-2-amino-3-hydroxy-2-(hydroxymethyl)-14-oxo-icosanoate CAS Name: (2S,3R)-2-amino-3-hydroxy-2-(hydroxymethyl)-14-oxoeicosanoic acid methyl ester IUPAC Name: methyl (2S,3R)-2-amino-3-hydroxy-2-(hydroxymethyl)-14-oxoicosanoate Traditional Name: (2S,3R)-2-amino-3-hydroxy-14-keto-2-methylol-arachidic acid methyl ester Formula: C22H43NO5 MolecularWeight: 401.58052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)CCCCCCCCCCC(C(CO)(C(=O)OC)N)O

Isomeric SMILES

CCCCCCC(=O)CCCCCCCCCC[C@H]([C@@](CO)(C(=O)OC)N)O

InChI

InChI=1S/C22H43NO5/c1-3-4-5-12-15-19(25)16-13-10-8-6-7-9-11-14-17-20(26)22(23,18-24)21(27)28-2/h20,24,26H,3-18,23H2,1-2H3/t20-,22+/m1/s1