6-[6-(2-methylpropanoylamino)purin-9-yl]-2-(phenylmethoxycarbonylamino)hexanoic acid

Systemtic Name: 6-[6-(2-methylpropanoylamino)purin-9-yl]-2-(phenylmethoxycarbonylamino)hexanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-6-[6-(2-methylpropanoylamino)purin-9-yl]hexanoic acid CAS Name: 6-[6-[(2-methyl-1-oxopropyl)amino]-9-purinyl]-2-(phenylmethoxycarbonylamino)hexanoic acid IUPAC Name: 6-[6-(2-methylpropanoylamino)purin-9-yl]-2-(phenylmethoxycarbonylamino)hexanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-6-[6-(isobutyrylamino)purin-9-yl]hexanoic acid Formula: C23H28N6O5 MolecularWeight: 468.50562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=NC=NC2=C1N=CN2CCCCC(C(=O)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)C(=O)NC1=NC=NC2=C1N=CN2CCCCC(C(=O)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H28N6O5/c1-15(2)21(30)28-19-18-20(25-13-24-19)29(14-26-18)11-7-6-10-17(22(31)32)27-23(33)34-12-16-8-4-3-5-9-16/h3-5,8-9,13-15,17H,6-7,10-12H2,1-2H3,(H,27,33)(H,31,32)(H,24,25,28,30)