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

Systemtic Name: (2S)-4-(2-acetamido-6-oxidanylidene-3H-purin-9-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid Openeye Name: (2S)-4-(2-acetamido-6-oxo-3H-purin-9-yl)-2-(tert-butoxycarbonylamino)butanoic acid CAS Name: (2S)-4-(2-acetamido-6-oxo-3H-purin-9-yl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid IUPAC Name: (2S)-4-(2-acetamido-6-oxo-3H-purin-9-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid Traditional Name: (2S)-4-(2-acetamido-6-keto-3H-purin-9-yl)-2-(tert-butoxycarbonylamino)butyric acid Formula: C16H22N6O6 MolecularWeight: 394.38248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N6O6/c1-8(23)18-14-20-11-10(12(24)21-14)17-7-22(11)6-5-9(13(25)26)19-15(27)28-16(2,3)4/h7,9H,5-6H2,1-4H3,(H,19,27)(H,25,26)(H2,18,20,21,23,24)/t9-/m0/s1