methyl (E,2S,3R)-2-azanyl-2-(hydroxymethyl)-3-oxidanyl-14-oxidanylidene-icos-6-enoate

Systemtic Name: methyl (E,2S,3R)-2-azanyl-2-(hydroxymethyl)-3-oxidanyl-14-oxidanylidene-icos-6-enoate Openeye Name: methyl (E,2S,3R)-2-amino-3-hydroxy-2-(hydroxymethyl)-14-oxo-icos-6-enoate CAS Name: (E,2S,3R)-2-amino-3-hydroxy-2-(hydroxymethyl)-14-oxo-6-eicosenoic acid methyl ester IUPAC Name: methyl (E,2S,3R)-2-amino-3-hydroxy-2-(hydroxymethyl)-14-oxoicos-6-enoate Traditional Name: (E,2S,3R)-2-amino-3-hydroxy-14-keto-2-methylol-eicos-6-enoic acid methyl ester Formula: C22H41NO5 MolecularWeight: 399.56464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCC(=O)CCCCCC/C=C/CC[C@H]([C@@](CO)(C(=O)OC)N)O

InChI

InChI=1S/C22H41NO5/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/h9,11,20,24,26H,3-8,10,12-18,23H2,1-2H3/b11-9+/t20-,22+/m1/s1