2-[[2-azanyl-9-[2-(phosphonomethoxy)ethyl]purin-6-yl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[2-azanyl-9-[2-(phosphonomethoxy)ethyl]purin-6-yl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-amino-9-[2-(phosphonomethoxy)ethyl]purin-6-yl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[2-amino-9-[2-(phosphonomethoxy)ethyl]-6-purinyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-amino-9-[2-(phosphonomethoxy)ethyl]purin-6-yl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-amino-9-[2-(phosphonomethoxy)ethyl]purin-6-yl]amino]-3-phenyl-propionic acid Formula: C17H21N6O6P MolecularWeight: 436.359001

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC2=NC(=NC3=C2N=CN3CCOCP(=O)(O)O)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NC2=NC(=NC3=C2N=CN3CCOCP(=O)(O)O)N

InChI

InChI=1S/C17H21N6O6P/c18-17-21-14(20-12(16(24)25)8-11-4-2-1-3-5-11)13-15(22-17)23(9-19-13)6-7-29-10-30(26,27)28/h1-5,9,12H,6-8,10H2,(H,24,25)(H2,26,27,28)(H3,18,20,21,22)