(phenylmethyl) (2R)-5-(2-azanyl-6-chloranyl-purin-9-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

Systemtic Name: (phenylmethyl) (2R)-5-(2-azanyl-6-chloranyl-purin-9-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate Openeye Name: benzyl (2R)-5-(2-amino-6-chloro-purin-9-yl)-2-(tert-butoxycarbonylamino)pentanoate CAS Name: (2R)-5-(2-amino-6-chloro-9-purinyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2R)-5-(2-amino-6-chloropurin-9-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate Traditional Name: (2R)-5-(2-amino-6-chloro-purin-9-yl)-2-(tert-butoxycarbonylamino)valeric acid benzyl ester Formula: C22H27ClN6O4 MolecularWeight: 474.94058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCCN1C=NC2=C1N=C(N=C2Cl)N)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H](CCCN1C=NC2=C1N=C(N=C2Cl)N)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H27ClN6O4/c1-22(2,3)33-21(31)26-15(19(30)32-12-14-8-5-4-6-9-14)10-7-11-29-13-25-16-17(23)27-20(24)28-18(16)29/h4-6,8-9,13,15H,7,10-12H2,1-3H3,(H,26,31)(H2,24,27,28)/t15-/m1/s1