6-(1-azanyl-1-oxidanylidene-hexadecan-3-yl)oxy-6-oxidanylidene-5-(pyrazin-2-ylcarbonylamino)hexanoic acid

Systemtic Name: 6-(1-azanyl-1-oxidanylidene-hexadecan-3-yl)oxy-6-oxidanylidene-5-(pyrazin-2-ylcarbonylamino)hexanoic acid Openeye Name: 6-[1-(2-amino-2-oxo-ethyl)tetradecoxy]-6-oxo-5-(pyrazine-2-carbonylamino)hexanoic acid CAS Name: 6-(1-amino-1-oxohexadecan-3-yl)oxy-6-oxo-5-[[oxo(2-pyrazinyl)methyl]amino]hexanoic acid IUPAC Name: 6-(1-amino-1-oxohexadecan-3-yl)oxy-6-oxo-5-(pyrazine-2-carbonylamino)hexanoic acid Traditional Name: 6-[1-(2-amino-2-keto-ethyl)tetradecoxy]-6-keto-5-(pyrazinoylamino)hexanoic acid Formula: C27H44N4O6 MolecularWeight: 520.66146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H44N4O6/c1-2-3-4-5-6-7-8-9-10-11-12-14-21(19-24(28)32)37-27(36)22(15-13-16-25(33)34)31-26(35)23-20-29-17-18-30-23/h17-18,20-22H,2-16,19H2,1H3,(H2,28,32)(H,31,35)(H,33,34)