3-[[(2R,3S)-4-oxidanylidene-4-phenylmethoxy-3-(phenylmethoxycarbonylamino)butan-2-yl]oxy-phenylmethoxy-phosphoryl]oxypropyl hexadecanoate

Systemtic Name: 3-[[(2R,3S)-4-oxidanylidene-4-phenylmethoxy-3-(phenylmethoxycarbonylamino)butan-2-yl]oxy-phenylmethoxy-phosphoryl]oxypropyl hexadecanoate Openeye Name: 3-[benzyloxy-[(1R,2S)-3-benzyloxy-2-(benzyloxycarbonylamino)-1-methyl-3-oxo-propoxy]phosphoryl]oxypropyl hexadecanoate CAS Name: hexadecanoic acid 3-[[(2R,3S)-4-oxo-4-phenylmethoxy-3-(phenylmethoxycarbonylamino)butan-2-yl]oxy-phenylmethoxyphosphoryl]oxypropyl ester IUPAC Name: 3-[[(2R,3S)-4-oxo-4-phenylmethoxy-3-(phenylmethoxycarbonylamino)butan-2-yl]oxy-phenylmethoxyphosphoryl]oxypropyl hexadecanoate Traditional Name: palmitic acid 3-[benzoxy-[(1R,2S)-3-benzoxy-2-(benzyloxycarbonylamino)-3-keto-1-methyl-propoxy]phosphoryl]oxypropyl ester Formula: C45H64NO10P MolecularWeight: 809.964121

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCCCOP(=O)(OCC1=CC=CC=C1)OC(C)C(C(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCCCOP(=O)(OCC1=CC=CC=C1)O[C@H](C)[C@@H](C(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C45H64NO10P/c1-3-4-5-6-7-8-9-10-11-12-13-14-24-32-42(47)51-33-25-34-54-57(50,55-37-41-30-22-17-23-31-41)56-38(2)43(44(48)52-35-39-26-18-15-19-27-39)46-45(49)53-36-40-28-20-16-21-29-40/h15-23,26-31,38,43H,3-14,24-25,32-37H2,1-2H3,(H,46,49)/t38-,43+,57?/m1/s1