[3-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]-4-oxidanyl-butyl] 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

Systemtic Name: [3-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]-4-oxidanyl-butyl] 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Openeye Name: [3-[(2-amino-6-oxo-3H-purin-9-yl)methyl]-4-hydroxy-butyl] 2-(tert-butoxycarbonylamino)-3-methyl-butanoate CAS Name: 3-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid [3-[(2-amino-6-oxo-3H-purin-9-yl)methyl]-4-hydroxybutyl] ester IUPAC Name: [3-[(2-amino-6-oxo-3H-purin-9-yl)methyl]-4-hydroxybutyl] 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Traditional Name: 2-(tert-butoxycarbonylamino)-3-methyl-butyric acid [3-[(2-amino-6-keto-3H-purin-9-yl)methyl]-4-hydroxy-butyl] ester Formula: C20H32N6O6 MolecularWeight: 452.50468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCCC(CN1C=NC2=C1NC(=NC2=O)N)CO)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C(C(=O)OCCC(CN1C=NC2=C1NC(=NC2=O)N)CO)NC(=O)OC(C)(C)C

InChI

InChI=1S/C20H32N6O6/c1-11(2)13(23-19(30)32-20(3,4)5)17(29)31-7-6-12(9-27)8-26-10-22-14-15(26)24-18(21)25-16(14)28/h10-13,27H,6-9H2,1-5H3,(H,23,30)(H3,21,24,25,28)