(2R)-2-azanyl-4-[[9-(2,2-dimethylpropanoyloxymethyl)purin-6-yl]sulfanylmethoxy]-4-oxidanylidene-butanoic acid

Systemtic Name: (2R)-2-azanyl-4-[[9-(2,2-dimethylpropanoyloxymethyl)purin-6-yl]sulfanylmethoxy]-4-oxidanylidene-butanoic acid Openeye Name: (2R)-2-amino-4-[[9-(2,2-dimethylpropanoyloxymethyl)purin-6-yl]sulfanylmethoxy]-4-oxo-butanoic acid CAS Name: (2R)-2-amino-4-[[[9-[(2,2-dimethyl-1-oxopropoxy)methyl]-6-purinyl]thio]methoxy]-4-oxobutanoic acid IUPAC Name: (2R)-2-amino-4-[[9-(2,2-dimethylpropanoyloxymethyl)purin-6-yl]sulfanylmethoxy]-4-oxobutanoic acid Traditional Name: (2R)-2-amino-4-keto-4-[[[9-(pivaloyloxymethyl)purin-6-yl]thio]methoxy]butyric acid Formula: C16H21N5O6S MolecularWeight: 411.43284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCN1C=NC2=C1N=CN=C2SCOC(=O)CC(C(=O)O)N

Isomeric SMILES

CC(C)(C)C(=O)OCN1C=NC2=C1N=CN=C2SCOC(=O)C[C@H](C(=O)O)N

InChI

InChI=1S/C16H21N5O6S/c1-16(2,3)15(25)26-7-21-6-20-11-12(21)18-5-19-13(11)28-8-27-10(22)4-9(17)14(23)24/h5-6,9H,4,7-8,17H2,1-3H3,(H,23,24)/t9-/m1/s1