7H-purin-6-yl 5-[bis(azanyl)methylideneamino]-2-(pentoxycarbonylamino)pentanoate

Systemtic Name: 7H-purin-6-yl 5-[bis(azanyl)methylideneamino]-2-(pentoxycarbonylamino)pentanoate Openeye Name: 7H-purin-6-yl 5-guanidino-2-(pentoxycarbonylamino)pentanoate CAS Name: 5-(diaminomethylideneamino)-2-[[oxo(pentoxy)methyl]amino]pentanoic acid 7H-purin-6-yl ester IUPAC Name: 7H-purin-6-yl 5-(diaminomethylideneamino)-2-(pentoxycarbonylamino)pentanoate Traditional Name: 2-(amoxycarbonylamino)-5-guanidino-valeric acid 7H-purin-6-yl ester Formula: C17H26N8O4 MolecularWeight: 406.43954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)NC(CCCN=C(N)N)C(=O)OC1=NC=NC2=C1NC=N2

Isomeric SMILES

CCCCCOC(=O)NC(CCCN=C(N)N)C(=O)OC1=NC=NC2=C1NC=N2

InChI

InChI=1S/C17H26N8O4/c1-2-3-4-8-28-17(27)25-11(6-5-7-20-16(18)19)15(26)29-14-12-13(22-9-21-12)23-10-24-14/h9-11H,2-8H2,1H3,(H,25,27)(H4,18,19,20)(H,21,22,23,24)