[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl] 2-[2-(6-azanylpurin-1-yl)ethanoylamino]ethanoate

Systemtic Name: [2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl] 2-[2-(6-azanylpurin-1-yl)ethanoylamino]ethanoate Openeye Name: [2-(tert-butoxycarbonylamino)cyclohexyl] 2-[[2-(6-aminopurin-1-yl)acetyl]amino]acetate CAS Name: 2-[[2-(6-amino-1-purinyl)-1-oxoethyl]amino]acetic acid [2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]cyclohexyl] ester IUPAC Name: [2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl] 2-[[2-(6-aminopurin-1-yl)acetyl]amino]acetate Traditional Name: 2-[[2-(6-aminopurin-1-yl)acetyl]amino]acetic acid [2-(tert-butoxycarbonylamino)cyclohexyl] ester Formula: C20H29N7O5 MolecularWeight: 447.48816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCCCC1OC(=O)CNC(=O)CN2C=NC3=NC=NC3=C2N

Isomeric SMILES

CC(C)(C)OC(=O)NC1CCCCC1OC(=O)CNC(=O)CN2C=NC3=NC=NC3=C2N

InChI

InChI=1S/C20H29N7O5/c1-20(2,3)32-19(30)26-12-6-4-5-7-13(12)31-15(29)8-22-14(28)9-27-11-25-18-16(17(27)21)23-10-24-18/h10-13H,4-9,21H2,1-3H3,(H,22,28)(H,26,30)