6-(1-azanyl-1-oxidanylidene-hexadecan-3-yl)oxy-6-oxidanylidene-5-(pyridin-3-ylcarbonylamino)hexanoic acid

Systemtic Name: 6-(1-azanyl-1-oxidanylidene-hexadecan-3-yl)oxy-6-oxidanylidene-5-(pyridin-3-ylcarbonylamino)hexanoic acid Openeye Name: 6-[1-(2-amino-2-oxo-ethyl)tetradecoxy]-6-oxo-5-(pyridine-3-carbonylamino)hexanoic acid CAS Name: 6-(1-amino-1-oxohexadecan-3-yl)oxy-6-oxo-5-[[oxo(3-pyridinyl)methyl]amino]hexanoic acid IUPAC Name: 6-(1-amino-1-oxohexadecan-3-yl)oxy-6-oxo-5-(pyridine-3-carbonylamino)hexanoic acid Traditional Name: 6-[1-(2-amino-2-keto-ethyl)tetradecoxy]-6-keto-5-nicotinamido-hexanoic acid Formula: C28H45N3O6 MolecularWeight: 519.6734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CC(=O)N)OC(=O)C(CCCC(=O)O)NC(=O)C1=CN=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCC(CC(=O)N)OC(=O)C(CCCC(=O)O)NC(=O)C1=CN=CC=C1

InChI

InChI=1S/C28H45N3O6/c1-2-3-4-5-6-7-8-9-10-11-12-16-23(20-25(29)32)37-28(36)24(17-13-18-26(33)34)31-27(35)22-15-14-19-30-21-22/h14-15,19,21,23-24H,2-13,16-18,20H2,1H3,(H2,29,32)(H,31,35)(H,33,34)