[5-(4-aminocarbonyl-5-azanyl-imidazol-1-yl)-4-hexadecanoyloxy-2-[[(phenylmethyl)amino]methyl]oxolan-3-yl] hexadecanoate

Systemtic Name: [5-(4-aminocarbonyl-5-azanyl-imidazol-1-yl)-4-hexadecanoyloxy-2-[[(phenylmethyl)amino]methyl]oxolan-3-yl] hexadecanoate Openeye Name: [5-(5-amino-4-carbamoyl-imidazol-1-yl)-2-[(benzylamino)methyl]-4-hexadecanoyloxy-tetrahydrofuran-3-yl] hexadecanoate CAS Name: hexadecanoic acid [5-(5-amino-4-carbamoyl-1-imidazolyl)-4-(1-oxohexadecoxy)-2-[[(phenylmethyl)amino]methyl]-3-oxolanyl] ester IUPAC Name: [5-(5-amino-4-carbamoylimidazol-1-yl)-2-[(benzylamino)methyl]-4-hexadecanoyloxyoxolan-3-yl] hexadecanoate Traditional Name: palmitic acid [5-(5-amino-4-carbamoyl-imidazol-1-yl)-2-[(benzylamino)methyl]-4-hexadecanoyloxy-tetrahydrofuran-3-yl] ester Formula: C48H81N5O6 MolecularWeight: 824.18664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC1C(OC(C1OC(=O)CCCCCCCCCCCCCCC)N2C=NC(=C2N)C(=O)N)CNCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC1C(OC(C1OC(=O)CCCCCCCCCCCCCCC)N2C=NC(=C2N)C(=O)N)CNCC3=CC=CC=C3

InChI

InChI=1S/C48H81N5O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-30-34-41(54)58-44-40(37-51-36-39-32-28-27-29-33-39)57-48(53-38-52-43(46(53)49)47(50)56)45(44)59-42(55)35-31-26-24-22-20-18-16-14-12-10-8-6-4-2/h27-29,32-33,38,40,44-45,48,51H,3-26,30-31,34-37,49H2,1-2H3,(H2,50,56)