methyl 2-[2-(6-benzamidopurin-9-yl)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethanoate

Systemtic Name: methyl 2-[2-(6-benzamidopurin-9-yl)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethanoate Openeye Name: methyl 2-[2-(6-benzamidopurin-9-yl)ethyl-tert-butoxycarbonyl-amino]acetate CAS Name: 2-[2-(6-benzamido-9-purinyl)ethyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[2-(6-benzamidopurin-9-yl)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate Traditional Name: 2-[2-(6-benzamidopurin-9-yl)ethyl-tert-butoxycarbonyl-amino]acetic acid methyl ester Formula: C22H26N6O5 MolecularWeight: 454.47904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CCN1C=NC2=C1N=CN=C2NC(=O)C3=CC=CC=C3)CC(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N(CCN1C=NC2=C1N=CN=C2NC(=O)C3=CC=CC=C3)CC(=O)OC

InChI

InChI=1S/C22H26N6O5/c1-22(2,3)33-21(31)27(12-16(29)32-4)10-11-28-14-25-17-18(23-13-24-19(17)28)26-20(30)15-8-6-5-7-9-15/h5-9,13-14H,10-12H2,1-4H3,(H,23,24,26,30)