ethyl (2R,3S,4R)-4-fluoranyl-2-(octadecanoylamino)-3-oxidanyl-octadecanoate

Systemtic Name: ethyl (2R,3S,4R)-4-fluoranyl-2-(octadecanoylamino)-3-oxidanyl-octadecanoate Openeye Name: ethyl (2R,3S,4R)-4-fluoro-3-hydroxy-2-(octadecanoylamino)octadecanoate CAS Name: (2R,3S,4R)-4-fluoro-3-hydroxy-2-(1-oxooctadecylamino)octadecanoic acid ethyl ester IUPAC Name: ethyl (2R,3S,4R)-4-fluoro-3-hydroxy-2-(octadecanoylamino)octadecanoate Traditional Name: (2R,3S,4R)-4-fluoro-3-hydroxy-2-stearamido-stearic acid ethyl ester Formula: C38H74FNO4 MolecularWeight: 627.996863

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC(C(C(CCCCCCCCCCCCCC)F)O)C(=O)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)N[C@H]([C@@H]([C@@H](CCCCCCCCCCCCCC)F)O)C(=O)OCC

InChI

InChI=1S/C38H74FNO4/c1-4-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35(41)40-36(38(43)44-6-3)37(42)34(39)32-30-28-26-24-22-18-16-14-12-10-8-5-2/h34,36-37,42H,4-33H2,1-3H3,(H,40,41)/t34-,36-,37-/m1/s1