2-[2-[2-(7H-purin-6-ylcarbonylamino)ethanoylamino]ethanoylamino]ethanoic acid

Systemtic Name: 2-[2-[2-(7H-purin-6-ylcarbonylamino)ethanoylamino]ethanoylamino]ethanoic acid Openeye Name: 2-[[2-[[2-(7H-purine-6-carbonylamino)acetyl]amino]acetyl]amino]acetic acid CAS Name: 2-[[1-oxo-2-[[1-oxo-2-[[oxo(7H-purin-6-yl)methyl]amino]ethyl]amino]ethyl]amino]acetic acid IUPAC Name: 2-[[2-[[2-(7H-purine-6-carbonylamino)acetyl]amino]acetyl]amino]acetic acid Traditional Name: 2-[[2-[[2-(7H-purine-6-carbonylamino)acetyl]amino]acetyl]amino]acetic acid Formula: C12H13N7O5 MolecularWeight: 335.27552

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=NC=NC(=C2N1)C(=O)NCC(=O)NCC(=O)NCC(=O)O

Isomeric SMILES

C1=NC2=NC=NC(=C2N1)C(=O)NCC(=O)NCC(=O)NCC(=O)O

InChI

InChI=1S/C12H13N7O5/c20-6(14-3-8(22)23)1-13-7(21)2-15-12(24)10-9-11(18-4-16-9)19-5-17-10/h4-5H,1-3H2,(H,13,21)(H,14,20)(H,15,24)(H,22,23)(H,16,17,18,19)