5-azanyl-4-[2-azanylpropanoyl-[5-(6-oxidanylidene-3,7-dihydropurin-9-ium-9-yl)pentoxycarbonyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-azanyl-4-[2-azanylpropanoyl-[5-(6-oxidanylidene-3,7-dihydropurin-9-ium-9-yl)pentoxycarbonyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-4-[2-aminopropanoyl-[5-(6-oxo-3,7-dihydropurin-9-ium-9-yl)pentoxycarbonyl]amino]-5-oxo-pentanoic acid CAS Name: 5-amino-4-[(2-amino-1-oxopropyl)-[oxo-[5-(6-oxo-3,7-dihydropurin-9-ium-9-yl)pentoxy]methyl]amino]-5-oxopentanoic acid IUPAC Name: 5-amino-4-[2-aminopropanoyl-[5-(6-oxo-3,7-dihydropurin-9-ium-9-yl)pentoxycarbonyl]amino]-5-oxopentanoic acid Traditional Name: 4-[alanyl-[5-(6-keto-3,7-dihydropurin-9-ium-9-yl)pentoxycarbonyl]amino]-5-amino-5-keto-valeric acid Formula: C19H28N7O7+ MolecularWeight: 466.46832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C(CCC(=O)O)C(=O)N)C(=O)OCCCCC[N+]1=CNC2=C1NC=NC2=O)N

Isomeric SMILES

CC(C(=O)N(C(CCC(=O)O)C(=O)N)C(=O)OCCCCC[N+]1=CNC2=C1NC=NC2=O)N

InChI

InChI=1S/C19H27N7O7/c1-11(20)18(31)26(12(15(21)29)5-6-13(27)28)19(32)33-8-4-2-3-7-25-10-24-14-16(25)22-9-23-17(14)30/h9-12H,2-8,20H2,1H3,(H4,21,22,23,27,28,29,30)/p+1