(phenylmethyl) (2S)-5-(6-aminopurin-9-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

Systemtic Name: (phenylmethyl) (2S)-5-(6-aminopurin-9-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate Openeye Name: benzyl (2S)-5-(6-aminopurin-9-yl)-2-(tert-butoxycarbonylamino)pentanoate CAS Name: (2S)-5-(6-aminopurin-9-yl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-5-(6-aminopurin-9-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate Traditional Name: (2S)-5-adenin-9-yl-2-(tert-butoxycarbonylamino)valeric acid benzyl ester Formula: C22H28N6O4 MolecularWeight: 440.49552

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCCN1C=NC2=C1N=CN=C2N)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCCN1C=NC2=C1N=CN=C2N)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H28N6O4/c1-22(2,3)32-21(30)27-16(20(29)31-12-15-8-5-4-6-9-15)10-7-11-28-14-26-17-18(23)24-13-25-19(17)28/h4-6,8-9,13-14,16H,7,10-12H2,1-3H3,(H,27,30)(H2,23,24,25)/t16-/m0/s1