5-azanyl-2-[[5-(decanoylamino)-6-methoxy-6-oxidanylidene-hexyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-azanyl-2-[[5-(decanoylamino)-6-methoxy-6-oxidanylidene-hexyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-2-[[5-(decanoylamino)-6-methoxy-6-oxo-hexyl]amino]-5-oxo-pentanoic acid CAS Name: 5-amino-2-[[6-methoxy-6-oxo-5-(1-oxodecylamino)hexyl]amino]-5-oxopentanoic acid IUPAC Name: 5-amino-2-[[5-(decanoylamino)-6-methoxy-6-oxohexyl]amino]-5-oxopentanoic acid Traditional Name: 5-amino-2-[[5-(caprylamino)-6-keto-6-methoxy-hexyl]amino]-5-keto-valeric acid Formula: C22H41N3O6 MolecularWeight: 443.57744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)NC(CCCCNC(CCC(=O)N)C(=O)O)C(=O)OC

Isomeric SMILES

CCCCCCCCCC(=O)NC(CCCCNC(CCC(=O)N)C(=O)O)C(=O)OC

InChI

InChI=1S/C22H41N3O6/c1-3-4-5-6-7-8-9-13-20(27)25-18(22(30)31-2)12-10-11-16-24-17(21(28)29)14-15-19(23)26/h17-18,24H,3-16H2,1-2H3,(H2,23,26)(H,25,27)(H,28,29)