3-[2-azanylethyl-[2-(6-azanylpurin-1-yl)ethanoyl]amino]propanoic acid

Systemtic Name: 3-[2-azanylethyl-[2-(6-azanylpurin-1-yl)ethanoyl]amino]propanoic acid Openeye Name: 3-[2-aminoethyl-[2-(6-aminopurin-1-yl)acetyl]amino]propanoic acid CAS Name: 3-[2-aminoethyl-[2-(6-amino-1-purinyl)-1-oxoethyl]amino]propanoic acid IUPAC Name: 3-[2-aminoethyl-[2-(6-aminopurin-1-yl)acetyl]amino]propanoic acid Traditional Name: 3-[2-aminoethyl-[2-(6-aminopurin-1-yl)acetyl]amino]propionic acid Formula: C12H17N7O3 MolecularWeight: 307.30848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N7O3/c13-2-4-18(3-1-9(21)22)8(20)5-19-7-17-12-10(11(19)14)15-6-16-12/h6-7H,1-5,13-14H2,(H,21,22)