[2-(hydroxymethyl)-3-oxidanyl-2-[2-(phenylmethoxycarbonylamino)ethanoylamino]propyl] hexadecanoate

Systemtic Name: [2-(hydroxymethyl)-3-oxidanyl-2-[2-(phenylmethoxycarbonylamino)ethanoylamino]propyl] hexadecanoate Openeye Name: [2-[[2-(benzyloxycarbonylamino)acetyl]amino]-3-hydroxy-2-(hydroxymethyl)propyl] hexadecanoate CAS Name: hexadecanoic acid [3-hydroxy-2-(hydroxymethyl)-2-[[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]amino]propyl] ester IUPAC Name: [3-hydroxy-2-(hydroxymethyl)-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propyl] hexadecanoate Traditional Name: palmitic acid [2-[[2-(benzyloxycarbonylamino)acetyl]amino]-3-hydroxy-2-methylol-propyl] ester Formula: C30H50N2O7 MolecularWeight: 550.7272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(CO)(CO)NC(=O)CNC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(CO)(CO)NC(=O)CNC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C30H50N2O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-28(36)39-25-30(23-33,24-34)32-27(35)21-31-29(37)38-22-26-18-15-14-16-19-26/h14-16,18-19,33-34H,2-13,17,20-25H2,1H3,(H,31,37)(H,32,35)