[3-acetyloxy-2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]propyl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: [3-acetyloxy-2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]propyl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: [3-acetoxy-2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]propyl] (2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoate CAS Name: (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid [3-acetyloxy-2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]propyl] ester IUPAC Name: [3-acetyloxy-2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]propyl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-methyl-butyric acid [3-acetoxy-2-[(2-amino-6-keto-3H-purin-9-yl)methoxy]propyl] ester Formula: C24H30N6O8 MolecularWeight: 530.5304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(COC(=O)C)OCN1C=NC2=C1NC(=NC2=O)N)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(COC(=O)C)OCN1C=NC2=C1NC(=NC2=O)N)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C24H30N6O8/c1-14(2)18(27-24(34)37-9-16-7-5-4-6-8-16)22(33)36-11-17(10-35-15(3)31)38-13-30-12-26-19-20(30)28-23(25)29-21(19)32/h4-8,12,14,17-18H,9-11,13H2,1-3H3,(H,27,34)(H3,25,28,29,32)/t17?,18-/m0/s1