6-azanyl-2-[[4-oxidanylidene-4-[2-(6-oxidanylidene-3,7-dihydropurin-9-ium-9-yl)ethoxy]butanoyl]amino]hexanoic acid

Systemtic Name: 6-azanyl-2-[[4-oxidanylidene-4-[2-(6-oxidanylidene-3,7-dihydropurin-9-ium-9-yl)ethoxy]butanoyl]amino]hexanoic acid Openeye Name: 6-amino-2-[[4-oxo-4-[2-(6-oxo-3,7-dihydropurin-9-ium-9-yl)ethoxy]butanoyl]amino]hexanoic acid CAS Name: 6-amino-2-[[1,4-dioxo-4-[2-(6-oxo-3,7-dihydropurin-9-ium-9-yl)ethoxy]butyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[[4-oxo-4-[2-(6-oxo-3,7-dihydropurin-9-ium-9-yl)ethoxy]butanoyl]amino]hexanoic acid Traditional Name: 6-amino-2-[[4-keto-4-[2-(6-keto-3,7-dihydropurin-9-ium-9-yl)ethoxy]butanoyl]amino]hexanoic acid Formula: C17H25N6O6+ MolecularWeight: 409.417

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=O)C2=C(N1)[N+](=CN2)CCOC(=O)CCC(=O)NC(CCCCN)C(=O)O

Isomeric SMILES

C1=NC(=O)C2=C(N1)[N+](=CN2)CCOC(=O)CCC(=O)NC(CCCCN)C(=O)O

InChI

InChI=1S/C17H24N6O6/c18-6-2-1-3-11(17(27)28)22-12(24)4-5-13(25)29-8-7-23-10-21-14-15(23)19-9-20-16(14)26/h9-11H,1-8,18H2,(H3,19,20,22,24,26,27,28)/p+1