2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]oxymethyl]butyl octadecanoate

Systemtic Name: 2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]oxymethyl]butyl octadecanoate Openeye Name: 2-[[(2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]oxymethyl]butyl octadecanoate CAS Name: octadecanoic acid 2-[[(2S)-3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)butoxy]methyl]butyl ester IUPAC Name: 2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]oxymethyl]butyl octadecanoate Traditional Name: stearic acid 2-[[(2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]oxymethyl]butyl ester Formula: C36H61NO6 MolecularWeight: 603.87264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(CC)COC(=O)[C@H](C(C)C)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C36H61NO6/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-33(38)41-27-31(6-2)28-42-35(39)34(30(3)4)37-36(40)43-29-32-24-21-20-22-25-32/h20-22,24-25,30-31,34H,5-19,23,26-29H2,1-4H3,(H,37,40)/t31?,34-/m0/s1