2-[(2-azanyl-6-phenylmethoxy-purin-9-yl)carbamoyl-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]ethanoic acid

Systemtic Name: 2-[(2-azanyl-6-phenylmethoxy-purin-9-yl)carbamoyl-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]ethanoic acid Openeye Name: 2-[(2-amino-6-benzyloxy-purin-9-yl)carbamoyl-[1-(tert-butoxycarbonylamino)ethyl]amino]acetic acid CAS Name: 2-[[[(2-amino-6-phenylmethoxy-9-purinyl)amino]-oxomethyl]-[1-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethyl]amino]acetic acid IUPAC Name: 2-[(2-amino-6-phenylmethoxypurin-9-yl)carbamoyl-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetic acid Traditional Name: 2-[(2-amino-6-benzoxy-purin-9-yl)carbamoyl-[1-(tert-butoxycarbonylamino)ethyl]amino]acetic acid Formula: C22H28N8O6 MolecularWeight: 500.50772

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Descriptors Computed from Structure

Canonical SMILES:

CC(NC(=O)OC(C)(C)C)N(CC(=O)O)C(=O)NN1C=NC2=C1N=C(N=C2OCC3=CC=CC=C3)N

Isomeric SMILES

CC(NC(=O)OC(C)(C)C)N(CC(=O)O)C(=O)NN1C=NC2=C1N=C(N=C2OCC3=CC=CC=C3)N

InChI

InChI=1S/C22H28N8O6/c1-13(25-21(34)36-22(2,3)4)29(10-15(31)32)20(33)28-30-12-24-16-17(30)26-19(23)27-18(16)35-11-14-8-6-5-7-9-14/h5-9,12-13H,10-11H2,1-4H3,(H,25,34)(H,28,33)(H,31,32)(H2,23,26,27)