3-[6-[(4-azanylcyclohexyl)amino]purin-9-yl]-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: 3-[6-[(4-azanylcyclohexyl)amino]purin-9-yl]-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 3-[6-[(4-aminocyclohexyl)amino]purin-9-yl]-2-(benzyloxycarbonylamino)propanoic acid CAS Name: 3-[6-[(4-aminocyclohexyl)amino]-9-purinyl]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 3-[6-[(4-aminocyclohexyl)amino]purin-9-yl]-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 3-[6-[(4-aminocyclohexyl)amino]purin-9-yl]-2-(benzyloxycarbonylamino)propionic acid Formula: C22H27N7O4 MolecularWeight: 453.49428

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)NC2=NC=NC3=C2N=CN3CC(C(=O)O)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CC(CCC1N)NC2=NC=NC3=C2N=CN3CC(C(=O)O)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C22H27N7O4/c23-15-6-8-16(9-7-15)27-19-18-20(25-12-24-19)29(13-26-18)10-17(21(30)31)28-22(32)33-11-14-4-2-1-3-5-14/h1-5,12-13,15-17H,6-11,23H2,(H,28,32)(H,30,31)(H,24,25,27)