2-[3-(3-bromanylphenoxy)propanoylamino]-3-oxidanyl-butanoic acid

Systemtic Name: 2-[3-(3-bromanylphenoxy)propanoylamino]-3-oxidanyl-butanoic acid Openeye Name: 2-[3-(3-bromophenoxy)propanoylamino]-3-hydroxy-butanoic acid CAS Name: 2-[[3-(3-bromophenoxy)-1-oxopropyl]amino]-3-hydroxybutanoic acid IUPAC Name: 2-[3-(3-bromophenoxy)propanoylamino]-3-hydroxybutanoic acid Traditional Name: 2-[3-(3-bromophenoxy)propanoylamino]-3-hydroxy-butyric acid Formula: C13H16BrNO5 MolecularWeight: 346.17384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)O)NC(=O)CCOC1=CC(=CC=C1)Br)O

Isomeric SMILES

CC(C(C(=O)O)NC(=O)CCOC1=CC(=CC=C1)Br)O

InChI

InChI=1S/C13H16BrNO5/c1-8(16)12(13(18)19)15-11(17)5-6-20-10-4-2-3-9(14)7-10/h2-4,7-8,12,16H,5-6H2,1H3,(H,15,17)(H,18,19)