6-oxidanylidene-6-(16-oxidanylidenehexadecanoylamino)-5-(piperidin-4-ylcarbonylamino)hexanoic acid hydrochloride

Systemtic Name: 6-oxidanylidene-6-(16-oxidanylidenehexadecanoylamino)-5-(piperidin-4-ylcarbonylamino)hexanoic acid hydrochloride Openeye Name: 6-oxo-6-(16-oxohexadecanoylamino)-5-(piperidine-4-carbonylamino)hexanoic acid hydrochloride CAS Name: 6-(1,16-dioxohexadecylamino)-6-oxo-5-[[oxo(4-piperidinyl)methyl]amino]hexanoic acid hydrochloride IUPAC Name: 6-oxo-6-(16-oxohexadecanoylamino)-5-(piperidine-4-carbonylamino)hexanoic acid hydrochloride Traditional Name: 5-(isonipecotoylamino)-6-keto-6-(16-ketohexadecanoylamino)hexanoic acid hydrochloride Formula: C28H50ClN3O6 MolecularWeight: 560.1661

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C(=O)NC(CCCC(=O)O)C(=O)NC(=O)CCCCCCCCCCCCCCC=O.Cl

Isomeric SMILES

C1CNCCC1C(=O)NC(CCCC(=O)O)C(=O)NC(=O)CCCCCCCCCCCCCCC=O.Cl

InChI

InChI=1S/C28H49N3O6.ClH/c32-22-13-11-9-7-5-3-1-2-4-6-8-10-12-16-25(33)31-28(37)24(15-14-17-26(34)35)30-27(36)23-18-20-29-21-19-23;/h22-24,29H,1-21H2,(H,30,36)(H,34,35)(H,31,33,37);1H