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

Systemtic Name: 3-[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]oxy-4-octadecanoyloxy-butanoic acid Openeye Name: 3-[2-(benzyloxycarbonylamino)-3-methyl-butanoyl]oxy-4-octadecanoyloxy-butanoic acid CAS Name: 3-[3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)butoxy]-4-(1-oxooctadecoxy)butanoic acid IUPAC Name: 3-[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]oxy-4-octadecanoyloxybutanoic acid Traditional Name: 3-[2-(benzyloxycarbonylamino)-3-methyl-butanoyl]oxy-4-stearoyloxy-butyric acid Formula: C35H57NO8 MolecularWeight: 619.82898

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(CC(=O)O)OC(=O)C(C(C)C)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(CC(=O)O)OC(=O)C(C(C)C)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C35H57NO8/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-32(39)42-27-30(25-31(37)38)44-34(40)33(28(2)3)36-35(41)43-26-29-22-19-18-20-23-29/h18-20,22-23,28,30,33H,4-17,21,24-27H2,1-3H3,(H,36,41)(H,37,38)