5-[bis(azanyl)methylideneamino]-2-[(7-pentoxycarbonyl-8H-purin-9-yl)amino]pentanoic acid

Systemtic Name: 5-[bis(azanyl)methylideneamino]-2-[(7-pentoxycarbonyl-8H-purin-9-yl)amino]pentanoic acid Openeye Name: 5-guanidino-2-[(7-pentoxycarbonyl-8H-purin-9-yl)amino]pentanoic acid CAS Name: 5-(diaminomethylideneamino)-2-[[7-[oxo(pentoxy)methyl]-8H-purin-9-yl]amino]pentanoic acid IUPAC Name: 5-(diaminomethylideneamino)-2-[(7-pentoxycarbonyl-8H-purin-9-yl)amino]pentanoic acid Traditional Name: 2-[(7-amoxycarbonyl-8H-purin-9-yl)amino]-5-guanidino-valeric acid Formula: C17H28N8O4 MolecularWeight: 408.45542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)N1CN(C2=NC=NC=C21)NC(CCCN=C(N)N)C(=O)O

Isomeric SMILES

CCCCCOC(=O)N1CN(C2=NC=NC=C21)NC(CCCN=C(N)N)C(=O)O

InChI

InChI=1S/C17H28N8O4/c1-2-3-4-8-29-17(28)24-11-25(14-13(24)9-20-10-22-14)23-12(15(26)27)6-5-7-21-16(18)19/h9-10,12,23H,2-8,11H2,1H3,(H,26,27)(H4,18,19,21)