3-(4-acetamido-3-iodanyl-phenyl)-2-azanyl-propanoic acid

Systemtic Name: 3-(4-acetamido-3-iodanyl-phenyl)-2-azanyl-propanoic acid Openeye Name: 3-(4-acetamido-3-iodo-phenyl)-2-amino-propanoic acid CAS Name: 3-(4-acetamido-3-iodophenyl)-2-aminopropanoic acid IUPAC Name: 3-(4-acetamido-3-iodophenyl)-2-aminopropanoic acid Traditional Name: 3-(4-acetamido-3-iodo-phenyl)-2-amino-propionic acid Formula: C11H13IN2O3 MolecularWeight: 348.13699

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)CC(C(=O)O)N)I

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)CC(C(=O)O)N)I

InChI

InChI=1S/C11H13IN2O3/c1-6(15)14-10-3-2-7(4-8(10)12)5-9(13)11(16)17/h2-4,9H,5,13H2,1H3,(H,14,15)(H,16,17)