3-(2-azanylpurin-9-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: 3-(2-azanylpurin-9-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: 3-(2-aminopurin-9-yl)-2-(tert-butoxycarbonylamino)propanoic acid CAS Name: 3-(2-amino-9-purinyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 3-(2-aminopurin-9-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 3-(2-aminopurin-9-yl)-2-(tert-butoxycarbonylamino)propionic acid Formula: C13H18N6O4 MolecularWeight: 322.31982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CN1C=NC2=CN=C(N=C21)N)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CN1C=NC2=CN=C(N=C21)N)C(=O)O

InChI

InChI=1S/C13H18N6O4/c1-13(2,3)23-12(22)17-8(10(20)21)5-19-6-16-7-4-15-11(14)18-9(7)19/h4,6,8H,5H2,1-3H3,(H,17,22)(H,20,21)(H2,14,15,18)