2-[2-(6-aminopurin-9-yl)ethanoyl-(carboxymethyl)amino]ethanoic acid

Systemtic Name: 2-[2-(6-aminopurin-9-yl)ethanoyl-(carboxymethyl)amino]ethanoic acid Openeye Name: 2-[[2-(6-aminopurin-9-yl)acetyl]-(carboxymethyl)amino]acetic acid CAS Name: 2-[[2-(6-aminopurin-9-yl)-1-oxoethyl]-(carboxymethyl)amino]acetic acid IUPAC Name: 2-[[2-(6-aminopurin-9-yl)acetyl]-(carboxymethyl)amino]acetic acid Traditional Name: 2-[(2-adenin-9-ylacetyl)-(carboxymethyl)amino]acetic acid Formula: C11H12N6O5 MolecularWeight: 308.25018

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2CC(=O)N(CC(=O)O)CC(=O)O

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2CC(=O)N(CC(=O)O)CC(=O)O

InChI

InChI=1S/C11H12N6O5/c12-10-9-11(14-4-13-10)17(5-15-9)1-6(18)16(2-7(19)20)3-8(21)22/h4-5H,1-3H2,(H,19,20)(H,21,22)(H2,12,13,14)