5-[bis(azanyl)methylideneamino]-2-[5-(7H-purin-9-ium-9-yl)pentoxycarbonylamino]pentanoic acid

Systemtic Name: 5-[bis(azanyl)methylideneamino]-2-[5-(7H-purin-9-ium-9-yl)pentoxycarbonylamino]pentanoic acid Openeye Name: 5-guanidino-2-[5-(7H-purin-9-ium-9-yl)pentoxycarbonylamino]pentanoic acid CAS Name: 5-(diaminomethylideneamino)-2-[[oxo-[5-(7H-purin-9-ium-9-yl)pentoxy]methyl]amino]pentanoic acid IUPAC Name: 5-(diaminomethylideneamino)-2-[5-(7H-purin-9-ium-9-yl)pentoxycarbonylamino]pentanoic acid Traditional Name: 5-guanidino-2-[5-(7H-purin-9-ium-9-yl)pentoxycarbonylamino]valeric acid Formula: C17H27N8O4+ MolecularWeight: 407.44748

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C(=NC=N1)[N+](=CN2)CCCCCOC(=O)NC(CCCN=C(N)N)C(=O)O

Isomeric SMILES

C1=C2C(=NC=N1)[N+](=CN2)CCCCCOC(=O)NC(CCCN=C(N)N)C(=O)O

InChI

InChI=1S/C17H26N8O4/c18-16(19)21-6-4-5-12(15(26)27)24-17(28)29-8-3-1-2-7-25-11-23-13-9-20-10-22-14(13)25/h9-12H,1-8H2,(H6,18,19,21,24,26,27,28)/p+1