3-[2-azanylethyl-[2-(2-azanyl-6-oxidanylidene-7H-purin-1-yl)ethanoyl]amino]propanoic acid

Systemtic Name: 3-[2-azanylethyl-[2-(2-azanyl-6-oxidanylidene-7H-purin-1-yl)ethanoyl]amino]propanoic acid Openeye Name: 3-[2-aminoethyl-[2-(2-amino-6-oxo-7H-purin-1-yl)acetyl]amino]propanoic acid CAS Name: 3-[2-aminoethyl-[2-(2-amino-6-oxo-7H-purin-1-yl)-1-oxoethyl]amino]propanoic acid IUPAC Name: 3-[2-aminoethyl-[2-(2-amino-6-oxo-7H-purin-1-yl)acetyl]amino]propanoic acid Traditional Name: 3-[2-aminoethyl-[2-(2-amino-6-keto-7H-purin-1-yl)acetyl]amino]propionic acid Formula: C12H17N7O4 MolecularWeight: 323.30788

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1)C(=O)N(C(=N2)N)CC(=O)N(CCC(=O)O)CCN

Isomeric SMILES

C1=NC2=C(N1)C(=O)N(C(=N2)N)CC(=O)N(CCC(=O)O)CCN

InChI

InChI=1S/C12H17N7O4/c13-2-4-18(3-1-8(21)22)7(20)5-19-11(23)9-10(16-6-15-9)17-12(19)14/h6H,1-5,13H2,(H2,14,17)(H,15,16)(H,21,22)