methyl (2S)-2-acetamido-3-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]propanoate

Systemtic Name: methyl (2S)-2-acetamido-3-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]propanoate Openeye Name: methyl (2S)-2-acetamido-3-(3,5-dibromo-4-hydroxy-phenyl)propanoate CAS Name: (2S)-2-acetamido-3-(3,5-dibromo-4-hydroxyphenyl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-acetamido-3-(3,5-dibromo-4-hydroxyphenyl)propanoate Traditional Name: (2S)-2-acetamido-3-(3,5-dibromo-4-hydroxy-phenyl)propionic acid methyl ester Formula: C12H13Br2NO4 MolecularWeight: 395.04392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC(=C(C(=C1)Br)O)Br)C(=O)OC

Isomeric SMILES

CC(=O)N[C@@H](CC1=CC(=C(C(=C1)Br)O)Br)C(=O)OC

InChI

InChI=1S/C12H13Br2NO4/c1-6(16)15-10(12(18)19-2)5-7-3-8(13)11(17)9(14)4-7/h3-4,10,17H,5H2,1-2H3,(H,15,16)/t10-/m0/s1