ethyl (2R,3R)-3-(3-dodecylphenyl)-2-(hexadecanoylamino)-3-oxidanyl-propanoate

Systemtic Name: ethyl (2R,3R)-3-(3-dodecylphenyl)-2-(hexadecanoylamino)-3-oxidanyl-propanoate Openeye Name: ethyl (2R,3R)-3-(3-dodecylphenyl)-2-(hexadecanoylamino)-3-hydroxy-propanoate CAS Name: (2R,3R)-3-(3-dodecylphenyl)-3-hydroxy-2-(1-oxohexadecylamino)propanoic acid ethyl ester IUPAC Name: ethyl (2R,3R)-3-(3-dodecylphenyl)-2-(hexadecanoylamino)-3-hydroxypropanoate Traditional Name: (2R,3R)-3-hydroxy-3-(3-laurylphenyl)-2-palmitamido-propionic acid ethyl ester Formula: C39H69NO4 MolecularWeight: 615.96946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC(C(C1=CC=CC(=C1)CCCCCCCCCCCC)O)C(=O)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)N[C@H]([C@@H](C1=CC=CC(=C1)CCCCCCCCCCCC)O)C(=O)OCC

InChI

InChI=1S/C39H69NO4/c1-4-7-9-11-13-15-17-18-19-21-23-25-27-32-36(41)40-37(39(43)44-6-3)38(42)35-31-28-30-34(33-35)29-26-24-22-20-16-14-12-10-8-5-2/h28,30-31,33,37-38,42H,4-27,29,32H2,1-3H3,(H,40,41)/t37-,38-/m1/s1