methyl (2S)-4-[2-acetamido-6-(2-nitrophenoxy)purin-9-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

Systemtic Name: methyl (2S)-4-[2-acetamido-6-(2-nitrophenoxy)purin-9-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Openeye Name: methyl (2S)-4-[2-acetamido-6-(2-nitrophenoxy)purin-9-yl]-2-(tert-butoxycarbonylamino)butanoate CAS Name: (2S)-4-[2-acetamido-6-(2-nitrophenoxy)-9-purinyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-4-[2-acetamido-6-(2-nitrophenoxy)purin-9-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Traditional Name: (2S)-4-[2-acetamido-6-(2-nitrophenoxy)purin-9-yl]-2-(tert-butoxycarbonylamino)butyric acid methyl ester Formula: C23H27N7O8 MolecularWeight: 529.50258

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC2=C(C(=N1)OC3=CC=CC=C3[N+](=O)[O-])N=CN2CCC(C(=O)OC)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)NC1=NC2=C(C(=N1)OC3=CC=CC=C3[N+](=O)[O-])N=CN2CC[C@@H](C(=O)OC)NC(=O)OC(C)(C)C

InChI

InChI=1S/C23H27N7O8/c1-13(31)25-21-27-18-17(19(28-21)37-16-9-7-6-8-15(16)30(34)35)24-12-29(18)11-10-14(20(32)36-5)26-22(33)38-23(2,3)4/h6-9,12,14H,10-11H2,1-5H3,(H,26,33)(H,25,27,28,31)/t14-/m0/s1