2-[2-(6-benzamidopurin-9-yl)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethanoic acid

Systemtic Name: 2-[2-(6-benzamidopurin-9-yl)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethanoic acid Openeye Name: 2-[2-(6-benzamidopurin-9-yl)ethyl-tert-butoxycarbonyl-amino]acetic acid CAS Name: 2-[2-(6-benzamido-9-purinyl)ethyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]acetic acid IUPAC Name: 2-[2-(6-benzamidopurin-9-yl)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid Traditional Name: 2-[2-(6-benzamidopurin-9-yl)ethyl-tert-butoxycarbonyl-amino]acetic acid Formula: C21H24N6O5 MolecularWeight: 440.45246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N6O5/c1-21(2,3)32-20(31)26(11-15(28)29)9-10-27-13-24-16-17(22-12-23-18(16)27)25-19(30)14-7-5-4-6-8-14/h4-8,12-13H,9-11H2,1-3H3,(H,28,29)(H,22,23,25,30)