5-azanyl-5-oxidanylidene-2-(7H-purin-6-ylcarbonylamino)pentanoic acid

Systemtic Name: 5-azanyl-5-oxidanylidene-2-(7H-purin-6-ylcarbonylamino)pentanoic acid Openeye Name: 5-amino-5-oxo-2-(7H-purine-6-carbonylamino)pentanoic acid CAS Name: 5-amino-5-oxo-2-[[oxo(7H-purin-6-yl)methyl]amino]pentanoic acid IUPAC Name: 5-amino-5-oxo-2-(7H-purine-6-carbonylamino)pentanoic acid Traditional Name: 5-amino-5-keto-2-(7H-purine-6-carbonylamino)valeric acid Formula: C11H12N6O4 MolecularWeight: 292.25078

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=NC=NC(=C2N1)C(=O)NC(CCC(=O)N)C(=O)O

Isomeric SMILES

C1=NC2=NC=NC(=C2N1)C(=O)NC(CCC(=O)N)C(=O)O

InChI

InChI=1S/C11H12N6O4/c12-6(18)2-1-5(11(20)21)17-10(19)8-7-9(15-3-13-7)16-4-14-8/h3-5H,1-2H2,(H2,12,18)(H,17,19)(H,20,21)(H,13,14,15,16)