2-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]oxymethyl]-4-octadecanoyloxy-butanoic acid

Systemtic Name: 2-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]oxymethyl]-4-octadecanoyloxy-butanoic acid Openeye Name: 2-[[2-(benzyloxycarbonylamino)-3-methyl-butanoyl]oxymethyl]-4-octadecanoyloxy-butanoic acid CAS Name: 2-[[3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)butoxy]methyl]-4-(1-oxooctadecoxy)butanoic acid IUPAC Name: 2-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]oxymethyl]-4-octadecanoyloxybutanoic acid Traditional Name: 2-[[2-(benzyloxycarbonylamino)-3-methyl-butanoyl]oxymethyl]-4-stearoyloxy-butyric acid Formula: C36H59NO8 MolecularWeight: 633.85556

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCCC(COC(=O)C(C(C)C)NC(=O)OCC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCCC(COC(=O)C(C(C)C)NC(=O)OCC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C36H59NO8/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-32(38)43-26-25-31(34(39)40)28-44-35(41)33(29(2)3)37-36(42)45-27-30-22-19-18-20-23-30/h18-20,22-23,29,31,33H,4-17,21,24-28H2,1-3H3,(H,37,42)(H,39,40)