(phenylmethyl) (2R,3R)-2-(hydroxymethyl)-3-oxidanyl-12-oxidanylidene-2-(phenylmethoxycarbonylamino)octadecanoate

Systemtic Name: (phenylmethyl) (2R,3R)-2-(hydroxymethyl)-3-oxidanyl-12-oxidanylidene-2-(phenylmethoxycarbonylamino)octadecanoate Openeye Name: benzyl (2R,3R)-2-(benzyloxycarbonylamino)-3-hydroxy-2-(hydroxymethyl)-12-oxo-octadecanoate CAS Name: (2R,3R)-3-hydroxy-2-(hydroxymethyl)-12-oxo-2-(phenylmethoxycarbonylamino)octadecanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2R,3R)-3-hydroxy-2-(hydroxymethyl)-12-oxo-2-(phenylmethoxycarbonylamino)octadecanoate Traditional Name: (2R,3R)-2-(benzyloxycarbonylamino)-3-hydroxy-12-keto-2-methylol-stearic acid benzyl ester Formula: C34H49NO7 MolecularWeight: 583.75536

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)CCCCCCCCC(C(CO)(C(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)O

Isomeric SMILES

CCCCCCC(=O)CCCCCCCC[C@H]([C@](CO)(C(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)O

InChI

InChI=1S/C34H49NO7/c1-2-3-4-15-22-30(37)23-16-7-5-6-8-17-24-31(38)34(27-36,32(39)41-25-28-18-11-9-12-19-28)35-33(40)42-26-29-20-13-10-14-21-29/h9-14,18-21,31,36,38H,2-8,15-17,22-27H2,1H3,(H,35,40)/t31-,34-/m1/s1