2-[3-(6-oxidanylidene-3H-purin-9-yl)propanoylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[3-(6-oxidanylidene-3H-purin-9-yl)propanoylamino]-3-phenyl-propanoic acid Openeye Name: 2-[3-(6-oxo-3H-purin-9-yl)propanoylamino]-3-phenyl-propanoic acid CAS Name: 2-[[1-oxo-3-(6-oxo-3H-purin-9-yl)propyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[3-(6-oxo-3H-purin-9-yl)propanoylamino]-3-phenylpropanoic acid Traditional Name: 2-[3-(6-keto-3H-purin-9-yl)propanoylamino]-3-phenyl-propionic acid Formula: C17H17N5O4 MolecularWeight: 355.34798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)CCN2C=NC3=C2NC=NC3=O

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)CCN2C=NC3=C2NC=NC3=O

InChI

InChI=1S/C17H17N5O4/c23-13(21-12(17(25)26)8-11-4-2-1-3-5-11)6-7-22-10-20-14-15(22)18-9-19-16(14)24/h1-5,9-10,12H,6-8H2,(H,21,23)(H,25,26)(H,18,19,24)