5-[6-(2-methylpropanoylamino)purin-9-yl]-2-(phenylmethoxycarbonylamino)pentanoic acid

Systemtic Name: 5-[6-(2-methylpropanoylamino)purin-9-yl]-2-(phenylmethoxycarbonylamino)pentanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-5-[6-(2-methylpropanoylamino)purin-9-yl]pentanoic acid CAS Name: 5-[6-[(2-methyl-1-oxopropyl)amino]-9-purinyl]-2-(phenylmethoxycarbonylamino)pentanoic acid IUPAC Name: 5-[6-(2-methylpropanoylamino)purin-9-yl]-2-(phenylmethoxycarbonylamino)pentanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-5-[6-(isobutyrylamino)purin-9-yl]valeric acid Formula: C22H26N6O5 MolecularWeight: 454.47904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=NC=NC2=C1N=CN2CCCC(C(=O)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)C(=O)NC1=NC=NC2=C1N=CN2CCCC(C(=O)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H26N6O5/c1-14(2)20(29)27-18-17-19(24-12-23-18)28(13-25-17)10-6-9-16(21(30)31)26-22(32)33-11-15-7-4-3-5-8-15/h3-5,7-8,12-14,16H,6,9-11H2,1-2H3,(H,26,32)(H,30,31)(H,23,24,27,29)