5-[bis(azanyl)methylideneamino]-2-[(6-oxidanylidene-3H-purin-9-yl)-pentoxycarbonyl-amino]pentanoic acid

Systemtic Name: 5-[bis(azanyl)methylideneamino]-2-[(6-oxidanylidene-3H-purin-9-yl)-pentoxycarbonyl-amino]pentanoic acid Openeye Name: 5-guanidino-2-[(6-oxo-3H-purin-9-yl)-pentoxycarbonyl-amino]pentanoic acid CAS Name: 5-(diaminomethylideneamino)-2-[[oxo(pentoxy)methyl]-(6-oxo-3H-purin-9-yl)amino]pentanoic acid IUPAC Name: 5-(diaminomethylideneamino)-2-[(6-oxo-3H-purin-9-yl)-pentoxycarbonylamino]pentanoic acid Traditional Name: 2-[amoxycarbonyl-(6-keto-3H-purin-9-yl)amino]-5-guanidino-valeric acid Formula: C17H26N8O5 MolecularWeight: 422.43894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)N(C(CCCN=C(N)N)C(=O)O)N1C=NC2=C1NC=NC2=O

Isomeric SMILES

CCCCCOC(=O)N(C(CCCN=C(N)N)C(=O)O)N1C=NC2=C1NC=NC2=O

InChI

InChI=1S/C17H26N8O5/c1-2-3-4-8-30-17(29)25(11(15(27)28)6-5-7-20-16(18)19)24-10-23-12-13(24)21-9-22-14(12)26/h9-11H,2-8H2,1H3,(H,27,28)(H4,18,19,20)(H,21,22,26)