2-[2-[5-(6-oxidanylidene-3H-purin-9-yl)pentoxycarbonylamino]ethanoylamino]ethanoic acid

Systemtic Name: 2-[2-[5-(6-oxidanylidene-3H-purin-9-yl)pentoxycarbonylamino]ethanoylamino]ethanoic acid Openeye Name: 2-[[2-[5-(6-oxo-3H-purin-9-yl)pentoxycarbonylamino]acetyl]amino]acetic acid CAS Name: 2-[[1-oxo-2-[[oxo-[5-(6-oxo-3H-purin-9-yl)pentoxy]methyl]amino]ethyl]amino]acetic acid IUPAC Name: 2-[[2-[5-(6-oxo-3H-purin-9-yl)pentoxycarbonylamino]acetyl]amino]acetic acid Traditional Name: 2-[[2-[5-(6-keto-3H-purin-9-yl)pentoxycarbonylamino]acetyl]amino]acetic acid Formula: C15H20N6O6 MolecularWeight: 380.3559

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N6O6/c22-10(16-7-11(23)24)6-17-15(26)27-5-3-1-2-4-21-9-20-12-13(21)18-8-19-14(12)25/h8-9H,1-7H2,(H,16,22)(H,17,26)(H,23,24)(H,18,19,25)