2-azanyl-6-[[4-(octanoylamino)-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]heptanedioic acid

Systemtic Name: 2-azanyl-6-[[4-(octanoylamino)-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]heptanedioic acid Openeye Name: 2-amino-6-[[5-hydroxy-4-(octanoylamino)-5-oxo-pentanoyl]amino]heptanedioic acid CAS Name: 2-amino-6-[[5-hydroxy-1,5-dioxo-4-(1-oxooctylamino)pentyl]amino]heptanedioic acid IUPAC Name: 2-amino-6-[[5-hydroxy-4-(octanoylamino)-5-oxopentanoyl]amino]heptanedioic acid Traditional Name: 2-amino-6-[[4-(caprylylamino)-5-hydroxy-5-keto-pentanoyl]amino]pimelic acid Formula: C20H35N3O8 MolecularWeight: 445.5072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(CCC(=O)NC(CCCC(C(=O)O)N)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCC(=O)NC(CCC(=O)NC(CCCC(C(=O)O)N)C(=O)O)C(=O)O

InChI

InChI=1S/C20H35N3O8/c1-2-3-4-5-6-10-16(24)23-15(20(30)31)11-12-17(25)22-14(19(28)29)9-7-8-13(21)18(26)27/h13-15H,2-12,21H2,1H3,(H,22,25)(H,23,24)(H,26,27)(H,28,29)(H,30,31)