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

Systemtic Name: [2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]-3-methanoyloxy-propyl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: [2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-3-formyloxy-propyl] (2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoate CAS Name: (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid [2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-3-formyloxypropyl] ester IUPAC Name: [2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-3-formyloxypropyl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-methyl-butyric acid [2-[(2-amino-6-keto-3H-purin-9-yl)methoxy]-3-formyloxy-propyl] ester Formula: C23H28N6O8 MolecularWeight: 516.50382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N6O8/c1-14(2)17(26-23(33)36-8-15-6-4-3-5-7-15)21(32)35-10-16(9-34-13-30)37-12-29-11-25-18-19(29)27-22(24)28-20(18)31/h3-7,11,13-14,16-17H,8-10,12H2,1-2H3,(H,26,33)(H3,24,27,28,31)/t16?,17-/m0/s1