InCHi String:
InChI=1S/C9H10INO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m0/s1
canonical SMILES: C1=CC(=C(C=C1CC(C(=O)O)N)I)O
isomeric SMILES: C1=CC(=C(C=C1C[C@@H](C(=O)O)N)I)O
PUBCHEM iupac NAME: PUBCHEM iupac CAS NAME(2S)-2-amino-3-(4-hydroxy-3-iodophenyl)propanoic acid
PUBCHEM iupac TRADITIONAL NAME(2S)-2-amino-3-(4-hydroxy-3-iodo-phenyl)propionic acid
PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac SYSTEMATIC NAME(2S)-2-amino-3-(4-hydroxy-3-iodo-phenyl)propanoic acid
PubChem Substance (SID):
85165137 5525 8144448PubChem Compound (CID):
439744KEGG: Compound ID
C02515CAS Registry IDs: 70-78-0
PDB Chemical Component
IYRMiscellaneous Databases and IDs:
Thomson Pharma 01449417
ChEBI CHEBI:27847 Sigma-Aldrich I8250_SIGMA
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.