[2-(acetyloxymethyl)-4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)butyl] (2S)-2-azanyl-3-methyl-butanoate

Systemtic Name: [2-(acetyloxymethyl)-4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)butyl] (2S)-2-azanyl-3-methyl-butanoate Openeye Name: [2-(acetoxymethyl)-4-(2-amino-6-oxo-3H-purin-9-yl)butyl] (2S)-2-amino-3-methyl-butanoate CAS Name: (2S)-2-amino-3-methylbutanoic acid [2-(acetyloxymethyl)-4-(2-amino-6-oxo-3H-purin-9-yl)butyl] ester IUPAC Name: [2-(acetyloxymethyl)-4-(2-amino-6-oxo-3H-purin-9-yl)butyl] (2S)-2-amino-3-methylbutanoate Traditional Name: (2S)-2-amino-3-methyl-butyric acid [2-(acetoxymethyl)-4-(2-amino-6-keto-3H-purin-9-yl)butyl] ester Formula: C17H26N6O5 MolecularWeight: 394.42554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(CCN1C=NC2=C1NC(=NC2=O)N)COC(=O)C)N

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(CCN1C=NC2=C1NC(=NC2=O)N)COC(=O)C)N

InChI

InChI=1S/C17H26N6O5/c1-9(2)12(18)16(26)28-7-11(6-27-10(3)24)4-5-23-8-20-13-14(23)21-17(19)22-15(13)25/h8-9,11-12H,4-7,18H2,1-3H3,(H3,19,21,22,25)/t11?,12-/m0/s1