methyl 6-[(2R)-2-azanyl-3-methoxy-3-oxidanylidene-propyl]sulfanyl-7-oxidanyl-octadecanoate

Systemtic Name: methyl 6-[(2R)-2-azanyl-3-methoxy-3-oxidanylidene-propyl]sulfanyl-7-oxidanyl-octadecanoate Openeye Name: methyl 6-[(2R)-2-amino-3-methoxy-3-oxo-propyl]sulfanyl-7-hydroxy-octadecanoate CAS Name: 6-[[(2R)-2-amino-3-methoxy-3-oxopropyl]thio]-7-hydroxyoctadecanoic acid methyl ester IUPAC Name: methyl 6-[(2R)-2-amino-3-methoxy-3-oxopropyl]sulfanyl-7-hydroxyoctadecanoate Traditional Name: 6-[[(2R)-2-amino-3-keto-3-methoxy-propyl]thio]-7-hydroxy-stearic acid methyl ester Formula: C23H45NO5S MolecularWeight: 447.6721

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(C(CCCCC(=O)OC)SCC(C(=O)OC)N)O

Isomeric SMILES

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

InChI

InChI=1S/C23H45NO5S/c1-4-5-6-7-8-9-10-11-12-15-20(25)21(16-13-14-17-22(26)28-2)30-18-19(24)23(27)29-3/h19-21,25H,4-18,24H2,1-3H3/t19-,20?,21?/m0/s1