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

Systemtic Name: 3-[[(2R,3S)-4-oxidanylidene-4-phenylmethoxy-3-(phenylmethoxycarbonylamino)butan-2-yl]oxy-phenylmethoxy-phosphoryl]oxypropyl octadecanoate Openeye Name: 3-[benzyloxy-[(1R,2S)-3-benzyloxy-2-(benzyloxycarbonylamino)-1-methyl-3-oxo-propoxy]phosphoryl]oxypropyl octadecanoate CAS Name: octadecanoic 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 octadecanoate Traditional Name: stearic acid 3-[benzoxy-[(1R,2S)-3-benzoxy-2-(benzyloxycarbonylamino)-3-keto-1-methyl-propoxy]phosphoryl]oxypropyl ester Formula: C47H68NO10P MolecularWeight: 838.017281

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=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/C47H68NO10P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-26-34-44(49)53-35-27-36-56-59(52,57-39-43-32-24-19-25-33-43)58-40(2)45(46(50)54-37-41-28-20-17-21-29-41)48-47(51)55-38-42-30-22-18-23-31-42/h17-25,28-33,40,45H,3-16,26-27,34-39H2,1-2H3,(H,48,51)/t40-,45+,59?/m1/s1