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

Systemtic Name: 6-(2-butyl-2-hexadecanoyl-hydrazinyl)-6-oxidanylidene-5-(quinolin-2-ylcarbonylamino)hexanoic acid hydrochloride Openeye Name: 6-(2-butyl-2-hexadecanoyl-hydrazino)-6-oxo-5-(quinoline-2-carbonylamino)hexanoic acid hydrochloride CAS Name: 6-[2-butyl-2-(1-oxohexadecyl)hydrazinyl]-6-oxo-5-[[oxo(2-quinolinyl)methyl]amino]hexanoic acid hydrochloride IUPAC Name: 6-(2-butyl-2-hexadecanoylhydrazinyl)-6-oxo-5-(quinoline-2-carbonylamino)hexanoic acid hydrochloride Traditional Name: 6-(N'-butyl-N'-hexadecanoyl-hydrazino)-6-keto-5-(quinaldoylamino)hexanoic acid hydrochloride Formula: C36H57ClN4O5 MolecularWeight: 661.31458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H56N4O5.ClH/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-24-33(41)40(28-6-4-2)39-36(45)31(23-20-25-34(42)43)38-35(44)32-27-26-29-21-18-19-22-30(29)37-32;/h18-19,21-22,26-27,31H,3-17,20,23-25,28H2,1-2H3,(H,38,44)(H,39,45)(H,42,43);1H