2-[5-(6-azanyl-7H-purin-9-ium-9-yl)pentoxycarbonylamino]-5-[bis(azanyl)methylideneamino]pentanoic acid

Systemtic Name: 2-[5-(6-azanyl-7H-purin-9-ium-9-yl)pentoxycarbonylamino]-5-[bis(azanyl)methylideneamino]pentanoic acid Openeye Name: 2-[5-(6-amino-7H-purin-9-ium-9-yl)pentoxycarbonylamino]-5-guanidino-pentanoic acid CAS Name: 2-[[5-(6-amino-7H-purin-9-ium-9-yl)pentoxy-oxomethyl]amino]-5-(diaminomethylideneamino)pentanoic acid IUPAC Name: 2-[5-(6-amino-7H-purin-9-ium-9-yl)pentoxycarbonylamino]-5-(diaminomethylideneamino)pentanoic acid Traditional Name: 2-[5-(6-amino-7H-purin-9-ium-9-yl)pentoxycarbonylamino]-5-guanidino-valeric acid Formula: C17H28N9O4+ MolecularWeight: 422.46212

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Descriptors Computed from Structure

Canonical SMILES:

C1=[N+](C2=C(N1)C(=NC=N2)N)CCCCCOC(=O)NC(CCCN=C(N)N)C(=O)O

Isomeric SMILES

C1=[N+](C2=C(N1)C(=NC=N2)N)CCCCCOC(=O)NC(CCCN=C(N)N)C(=O)O

InChI

InChI=1S/C17H27N9O4/c18-13-12-14(23-9-22-13)26(10-24-12)7-2-1-3-8-30-17(29)25-11(15(27)28)5-4-6-21-16(19)20/h9-11H,1-8H2,(H8,18,19,20,21,22,23,25,27,28,29)/p+1