[2-[(2-azanyl-6-oxidanylidene-4,5-dihydro-1H-purin-9-yl)methoxy]-3-oxidanyl-propyl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: [2-[(2-azanyl-6-oxidanylidene-4,5-dihydro-1H-purin-9-yl)methoxy]-3-oxidanyl-propyl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: [2-[(2-amino-6-oxo-4,5-dihydro-1H-purin-9-yl)methoxy]-3-hydroxy-propyl] (2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoate CAS Name: (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid [2-[(2-amino-6-oxo-4,5-dihydro-1H-purin-9-yl)methoxy]-3-hydroxypropyl] ester IUPAC Name: [2-[(2-amino-6-oxo-4,5-dihydro-1H-purin-9-yl)methoxy]-3-hydroxypropyl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-methyl-butyric acid [2-[(2-amino-6-keto-4,5-dihydro-1H-purin-9-yl)methoxy]-3-hydroxy-propyl] ester Formula: C22H30N6O7 MolecularWeight: 490.5096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(CO)OCN1C=NC2C1N=C(NC2=O)N)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(CO)OCN1C=NC2C1N=C(NC2=O)N)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H30N6O7/c1-13(2)16(25-22(32)34-9-14-6-4-3-5-7-14)20(31)33-10-15(8-29)35-12-28-11-24-17-18(28)26-21(23)27-19(17)30/h3-7,11,13,15-18,29H,8-10,12H2,1-2H3,(H,25,32)(H3,23,26,27,30)/t15?,16-,17?,18?/m0/s1