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

Systemtic Name: 6-(1-azanyl-1-oxidanylidene-hexadecan-3-yl)oxy-6-oxidanylidene-5-(pyridin-2-ylmethylcarbamoylamino)hexanoic acid Openeye Name: 6-[1-(2-amino-2-oxo-ethyl)tetradecoxy]-6-oxo-5-(2-pyridylmethylcarbamoylamino)hexanoic acid CAS Name: 6-(1-amino-1-oxohexadecan-3-yl)oxy-6-oxo-5-[[oxo-(2-pyridinylmethylamino)methyl]amino]hexanoic acid IUPAC Name: 6-(1-amino-1-oxohexadecan-3-yl)oxy-6-oxo-5-(pyridin-2-ylmethylcarbamoylamino)hexanoic acid Traditional Name: 6-[1-(2-amino-2-keto-ethyl)tetradecoxy]-6-keto-5-(2-pyridylmethylcarbamoylamino)hexanoic acid Formula: C29H48N4O6 MolecularWeight: 548.71462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CC(=O)N)OC(=O)C(CCCC(=O)O)NC(=O)NCC1=CC=CC=N1

Isomeric SMILES

CCCCCCCCCCCCCC(CC(=O)N)OC(=O)C(CCCC(=O)O)NC(=O)NCC1=CC=CC=N1

InChI

InChI=1S/C29H48N4O6/c1-2-3-4-5-6-7-8-9-10-11-12-17-24(21-26(30)34)39-28(37)25(18-15-19-27(35)36)33-29(38)32-22-23-16-13-14-20-31-23/h13-14,16,20,24-25H,2-12,15,17-19,21-22H2,1H3,(H2,30,34)(H,35,36)(H2,32,33,38)