2-[3-(3-bromophenyl)propanoylamino]-3-oxidanyl-propanoic acid

Systemtic Name: 2-[3-(3-bromophenyl)propanoylamino]-3-oxidanyl-propanoic acid Openeye Name: 2-[3-(3-bromophenyl)propanoylamino]-3-hydroxy-propanoic acid CAS Name: 2-[[3-(3-bromophenyl)-1-oxopropyl]amino]-3-hydroxypropanoic acid IUPAC Name: 2-[3-(3-bromophenyl)propanoylamino]-3-hydroxypropanoic acid Traditional Name: 2-[3-(3-bromophenyl)propanoylamino]-3-hydroxy-propionic acid Formula: C12H14BrNO4 MolecularWeight: 316.14786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)CCC(=O)NC(CO)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Br)CCC(=O)NC(CO)C(=O)O

InChI

InChI=1S/C12H14BrNO4/c13-9-3-1-2-8(6-9)4-5-11(16)14-10(7-15)12(17)18/h1-3,6,10,15H,4-5,7H2,(H,14,16)(H,17,18)