6-(2-hexadecanoyl-2-propyl-hydrazinyl)-6-oxidanylidene-5-(quinolin-2-ylcarbonylamino)hexanoic acid hydrochloride

Systemtic Name: 6-(2-hexadecanoyl-2-propyl-hydrazinyl)-6-oxidanylidene-5-(quinolin-2-ylcarbonylamino)hexanoic acid hydrochloride Openeye Name: 6-(2-hexadecanoyl-2-propyl-hydrazino)-6-oxo-5-(quinoline-2-carbonylamino)hexanoic acid hydrochloride CAS Name: 6-oxo-6-[2-(1-oxohexadecyl)-2-propylhydrazinyl]-5-[[oxo(2-quinolinyl)methyl]amino]hexanoic acid hydrochloride IUPAC Name: 6-(2-hexadecanoyl-2-propylhydrazinyl)-6-oxo-5-(quinoline-2-carbonylamino)hexanoic acid hydrochloride Traditional Name: 6-(N'-hexadecanoyl-N'-propyl-hydrazino)-6-keto-5-(quinaldoylamino)hexanoic acid hydrochloride Formula: C35H55ClN4O5 MolecularWeight: 647.288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)N(CCC)NC(=O)C(CCCC(=O)O)NC(=O)C1=NC2=CC=CC=C2C=C1.Cl

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)N(CCC)NC(=O)C(CCCC(=O)O)NC(=O)C1=NC2=CC=CC=C2C=C1.Cl

InChI

InChI=1S/C35H54N4O5.ClH/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-23-32(40)39(27-4-2)38-35(44)30(22-19-24-33(41)42)37-34(43)31-26-25-28-20-17-18-21-29(28)36-31;/h17-18,20-21,25-26,30H,3-16,19,22-24,27H2,1-2H3,(H,37,43)(H,38,44)(H,41,42);1H