6-(1-azanyl-1-oxidanylidene-hexadecan-3-yl)oxy-6-oxidanylidene-5-(pyridin-2-ylcarbamoylamino)hexanoic acid

Systemtic Name: 6-(1-azanyl-1-oxidanylidene-hexadecan-3-yl)oxy-6-oxidanylidene-5-(pyridin-2-ylcarbamoylamino)hexanoic acid Openeye Name: 6-[1-(2-amino-2-oxo-ethyl)tetradecoxy]-6-oxo-5-(2-pyridylcarbamoylamino)hexanoic acid CAS Name: 6-(1-amino-1-oxohexadecan-3-yl)oxy-6-oxo-5-[[oxo-(2-pyridinylamino)methyl]amino]hexanoic acid IUPAC Name: 6-(1-amino-1-oxohexadecan-3-yl)oxy-6-oxo-5-(pyridin-2-ylcarbamoylamino)hexanoic acid Traditional Name: 6-[1-(2-amino-2-keto-ethyl)tetradecoxy]-6-keto-5-(2-pyridylcarbamoylamino)hexanoic acid Formula: C28H46N4O6 MolecularWeight: 534.68804

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CC(=O)N)OC(=O)C(CCCC(=O)O)NC(=O)NC1=CC=CC=N1

Isomeric SMILES

CCCCCCCCCCCCCC(CC(=O)N)OC(=O)C(CCCC(=O)O)NC(=O)NC1=CC=CC=N1

InChI

InChI=1S/C28H46N4O6/c1-2-3-4-5-6-7-8-9-10-11-12-16-22(21-24(29)33)38-27(36)23(17-15-19-26(34)35)31-28(37)32-25-18-13-14-20-30-25/h13-14,18,20,22-23H,2-12,15-17,19,21H2,1H3,(H2,29,33)(H,34,35)(H2,30,31,32,37)