6-(1-azanyl-1-oxidanylidene-hexadecan-3-yl)oxy-5-[ethanoyl(1H-imidazol-5-yl)amino]-6-oxidanylidene-hexanoic acid

Systemtic Name: 6-(1-azanyl-1-oxidanylidene-hexadecan-3-yl)oxy-5-[ethanoyl(1H-imidazol-5-yl)amino]-6-oxidanylidene-hexanoic acid Openeye Name: 5-[acetyl(1H-imidazol-5-yl)amino]-6-[1-(2-amino-2-oxo-ethyl)tetradecoxy]-6-oxo-hexanoic acid CAS Name: 5-[acetyl(1H-imidazol-5-yl)amino]-6-(1-amino-1-oxohexadecan-3-yl)oxy-6-oxohexanoic acid IUPAC Name: 5-[acetyl(1H-imidazol-5-yl)amino]-6-(1-amino-1-oxohexadecan-3-yl)oxy-6-oxohexanoic acid Traditional Name: 5-[acetyl(1H-imidazol-5-yl)amino]-6-[1-(2-amino-2-keto-ethyl)tetradecoxy]-6-keto-hexanoic acid Formula: C27H46N4O6 MolecularWeight: 522.67734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CC(=O)N)OC(=O)C(CCCC(=O)O)N(C1=CN=CN1)C(=O)C

Isomeric SMILES

CCCCCCCCCCCCCC(CC(=O)N)OC(=O)C(CCCC(=O)O)N(C1=CN=CN1)C(=O)C

InChI

InChI=1S/C27H46N4O6/c1-3-4-5-6-7-8-9-10-11-12-13-15-22(18-24(28)33)37-27(36)23(16-14-17-26(34)35)31(21(2)32)25-19-29-20-30-25/h19-20,22-23H,3-18H2,1-2H3,(H2,28,33)(H,29,30)(H,34,35)