(phenylmethyl) (3R)-5-(2-azanyl-6-chloranyl-purin-9-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

Systemtic Name: (phenylmethyl) (3R)-5-(2-azanyl-6-chloranyl-purin-9-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate Openeye Name: benzyl (3R)-5-(2-amino-6-chloro-purin-9-yl)-3-(tert-butoxycarbonylamino)pentanoate CAS Name: (3R)-5-(2-amino-6-chloro-9-purinyl)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentanoic acid (phenylmethyl) ester IUPAC Name: benzyl (3R)-5-(2-amino-6-chloropurin-9-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate Traditional Name: (3R)-5-(2-amino-6-chloro-purin-9-yl)-3-(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(CCN1C=NC2=C1N=C(N=C2Cl)N)CC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H](CCN1C=NC2=C1N=C(N=C2Cl)N)CC(=O)OCC3=CC=CC=C3

InChI

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