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

Systemtic Name: methyl (2S)-4-[2-azanyl-6-(2-nitrophenoxy)purin-9-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Openeye Name: methyl (2S)-4-[2-amino-6-(2-nitrophenoxy)purin-9-yl]-2-(tert-butoxycarbonylamino)butanoate CAS Name: (2S)-4-[2-amino-6-(2-nitrophenoxy)-9-purinyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-4-[2-amino-6-(2-nitrophenoxy)purin-9-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Traditional Name: (2S)-4-[2-amino-6-(2-nitrophenoxy)purin-9-yl]-2-(tert-butoxycarbonylamino)butyric acid methyl ester Formula: C21H25N7O7 MolecularWeight: 487.4659

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCN1C=NC2=C1N=C(N=C2OC3=CC=CC=C3[N+](=O)[O-])N)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCN1C=NC2=C1N=C(N=C2OC3=CC=CC=C3[N+](=O)[O-])N)C(=O)OC

InChI

InChI=1S/C21H25N7O7/c1-21(2,3)35-20(30)24-12(18(29)33-4)9-10-27-11-23-15-16(27)25-19(22)26-17(15)34-14-8-6-5-7-13(14)28(31)32/h5-8,11-12H,9-10H2,1-4H3,(H,24,30)(H2,22,25,26)/t12-/m0/s1