6-(1-azanyl-1-oxidanylidene-hexadecan-3-yl)oxy-6-oxidanylidene-5-(piperidin-4-ylcarbonylamino)hexanoic acid hydrochloride

Systemtic Name: 6-(1-azanyl-1-oxidanylidene-hexadecan-3-yl)oxy-6-oxidanylidene-5-(piperidin-4-ylcarbonylamino)hexanoic acid hydrochloride Openeye Name: 6-[1-(2-amino-2-oxo-ethyl)tetradecoxy]-6-oxo-5-(piperidine-4-carbonylamino)hexanoic acid hydrochloride CAS Name: 6-(1-amino-1-oxohexadecan-3-yl)oxy-6-oxo-5-[[oxo(4-piperidinyl)methyl]amino]hexanoic acid hydrochloride IUPAC Name: 6-(1-amino-1-oxohexadecan-3-yl)oxy-6-oxo-5-(piperidine-4-carbonylamino)hexanoic acid hydrochloride Traditional Name: 6-[1-(2-amino-2-keto-ethyl)tetradecoxy]-5-(isonipecotoylamino)-6-keto-hexanoic acid hydrochloride Formula: C28H52ClN3O6 MolecularWeight: 562.18198

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CC(=O)N)OC(=O)C(CCCC(=O)O)NC(=O)C1CCNCC1.Cl

Isomeric SMILES

CCCCCCCCCCCCCC(CC(=O)N)OC(=O)C(CCCC(=O)O)NC(=O)C1CCNCC1.Cl

InChI

InChI=1S/C28H51N3O6.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-14-23(21-25(29)32)37-28(36)24(15-13-16-26(33)34)31-27(35)22-17-19-30-20-18-22;/h22-24,30H,2-21H2,1H3,(H2,29,32)(H,31,35)(H,33,34);1H