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

Systemtic Name: [2-(acetyloxymethyl)-4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)butyl] (2S)-2-azanyl-3-methyl-pentanoate Openeye Name: [2-(acetoxymethyl)-4-(2-amino-6-oxo-3H-purin-9-yl)butyl] (2S)-2-amino-3-methyl-pentanoate CAS Name: (2S)-2-amino-3-methylpentanoic 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-methylpentanoate Traditional Name: (2S)-2-amino-3-methyl-valeric acid [2-(acetoxymethyl)-4-(2-amino-6-keto-3H-purin-9-yl)butyl] ester Formula: C18H28N6O5 MolecularWeight: 408.45212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N6O5/c1-4-10(2)13(19)17(27)29-8-12(7-28-11(3)25)5-6-24-9-21-14-15(24)22-18(20)23-16(14)26/h9-10,12-13H,4-8,19H2,1-3H3,(H3,20,22,23,26)/t10?,12?,13-/m0/s1