6-(1-azanyl-1-oxidanylidene-hexadecan-3-yl)oxy-6-oxidanylidene-5-[(2-phenylphenyl)carbonylamino]hexanoic acid hydrochloride

Systemtic Name: 6-(1-azanyl-1-oxidanylidene-hexadecan-3-yl)oxy-6-oxidanylidene-5-[(2-phenylphenyl)carbonylamino]hexanoic acid hydrochloride Openeye Name: 6-[1-(2-amino-2-oxo-ethyl)tetradecoxy]-6-oxo-5-[(2-phenylbenzoyl)amino]hexanoic acid hydrochloride CAS Name: 6-(1-amino-1-oxohexadecan-3-yl)oxy-6-oxo-5-[[oxo-(2-phenylphenyl)methyl]amino]hexanoic acid hydrochloride IUPAC Name: 6-(1-amino-1-oxohexadecan-3-yl)oxy-6-oxo-5-[(2-phenylbenzoyl)amino]hexanoic acid hydrochloride Traditional Name: 6-[1-(2-amino-2-keto-ethyl)tetradecoxy]-6-keto-5-[(2-phenylbenzoyl)amino]hexanoic acid hydrochloride Formula: C35H51ClN2O6 MolecularWeight: 631.24224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CC(=O)N)OC(=O)C(CCCC(=O)O)NC(=O)C1=CC=CC=C1C2=CC=CC=C2.Cl

Isomeric SMILES

CCCCCCCCCCCCCC(CC(=O)N)OC(=O)C(CCCC(=O)O)NC(=O)C1=CC=CC=C1C2=CC=CC=C2.Cl

InChI

InChI=1S/C35H50N2O6.ClH/c1-2-3-4-5-6-7-8-9-10-11-15-21-28(26-32(36)38)43-35(42)31(24-18-25-33(39)40)37-34(41)30-23-17-16-22-29(30)27-19-13-12-14-20-27;/h12-14,16-17,19-20,22-23,28,31H,2-11,15,18,21,24-26H2,1H3,(H2,36,38)(H,37,41)(H,39,40);1H