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

Systemtic Name: 2-acetamido-3-(4-azanyl-3-ethyl-phenyl)propanoic acid Openeye Name: 2-acetamido-3-(4-amino-3-ethyl-phenyl)propanoic acid CAS Name: 2-acetamido-3-(4-amino-3-ethylphenyl)propanoic acid IUPAC Name: 2-acetamido-3-(4-amino-3-ethylphenyl)propanoic acid Traditional Name: 2-acetamido-3-(4-amino-3-ethyl-phenyl)propionic acid Formula: C13H18N2O3 MolecularWeight: 250.29362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)CC(C(=O)O)NC(=O)C)N

Isomeric SMILES

CCC1=C(C=CC(=C1)CC(C(=O)O)NC(=O)C)N

InChI

InChI=1S/C13H18N2O3/c1-3-10-6-9(4-5-11(10)14)7-12(13(17)18)15-8(2)16/h4-6,12H,3,7,14H2,1-2H3,(H,15,16)(H,17,18)