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

Systemtic Name: 6-(1-azanyl-1-oxidanylidene-hexadecan-3-yl)oxy-6-oxidanylidene-5-(pyridin-4-ylcarbonylamino)hexanoic acid Openeye Name: 6-[1-(2-amino-2-oxo-ethyl)tetradecoxy]-6-oxo-5-(pyridine-4-carbonylamino)hexanoic acid CAS Name: 6-(1-amino-1-oxohexadecan-3-yl)oxy-6-oxo-5-[[oxo(pyridin-4-yl)methyl]amino]hexanoic acid IUPAC Name: 6-(1-amino-1-oxohexadecan-3-yl)oxy-6-oxo-5-(pyridine-4-carbonylamino)hexanoic acid Traditional Name: 6-[1-(2-amino-2-keto-ethyl)tetradecoxy]-5-isonicotinamido-6-keto-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=CC=NC=C1

Isomeric SMILES

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

InChI

InChI=1S/C28H45N3O6/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/h17-20,23-24H,2-16,21H2,1H3,(H2,29,32)(H,31,35)(H,33,34)