2-azanyl-5-[[azanyl-[5-(6-oxidanylidene-3H-purin-9-yl)pentoxycarbonylamino]methylidene]amino]pentanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=O)C2=C(N1)N(C=N2)CCCCCOC(=O)NC(=NCCCC(C(=O)O)N)N

Isomeric SMILES

C1=NC(=O)C2=C(N1)N(C=N2)CCCCCOC(=O)NC(=NCCCC(C(=O)O)N)N

InChI

InChI=1S/C17H26N8O5/c18-11(15(27)28)5-4-6-20-16(19)24-17(29)30-8-3-1-2-7-25-10-23-12-13(25)21-9-22-14(12)26/h9-11H,1-8,18H2,(H,27,28)(H,21,22,26)(H3,19,20,24,29)