methyl (2S)-4-(2-acetamido-6-oxidanylidene-3H-purin-9-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

Systemtic Name: methyl (2S)-4-(2-acetamido-6-oxidanylidene-3H-purin-9-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Openeye Name: methyl (2S)-4-(2-acetamido-6-oxo-3H-purin-9-yl)-2-(tert-butoxycarbonylamino)butanoate CAS Name: (2S)-4-(2-acetamido-6-oxo-3H-purin-9-yl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-4-(2-acetamido-6-oxo-3H-purin-9-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Traditional Name: (2S)-4-(2-acetamido-6-keto-3H-purin-9-yl)-2-(tert-butoxycarbonylamino)butyric acid methyl ester Formula: C17H24N6O6 MolecularWeight: 408.40906

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=O)C2=C(N1)N(C=N2)CCC(C(=O)OC)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)NC1=NC(=O)C2=C(N1)N(C=N2)CC[C@@H](C(=O)OC)NC(=O)OC(C)(C)C

InChI

InChI=1S/C17H24N6O6/c1-9(24)19-15-21-12-11(13(25)22-15)18-8-23(12)7-6-10(14(26)28-5)20-16(27)29-17(2,3)4/h8,10H,6-7H2,1-5H3,(H,20,27)(H2,19,21,22,24,25)/t10-/m0/s1