(2S)-2-azanyl-3-(2-iodanyl-5-methoxy-4-oxidanyl-phenyl)propanoic acid

Systemtic Name: (2S)-2-azanyl-3-(2-iodanyl-5-methoxy-4-oxidanyl-phenyl)propanoic acid Openeye Name: (2S)-2-amino-3-(4-hydroxy-2-iodanyl-5-methoxy-phenyl)propanoic acid CAS Name: (2S)-2-amino-3-(4-hydroxy-2-iodanyl-5-methoxyphenyl)propanoic acid IUPAC Name: (2S)-2-amino-3-(4-hydroxy-2-iodanyl-5-methoxyphenyl)propanoic acid Traditional Name: (2S)-2-amino-3-(4-hydroxy-2-iodanyl-5-methoxy-phenyl)propionic acid Formula: C10H12INO4 MolecularWeight: 333.112178

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CC(C(=O)O)N)I)O

Isomeric SMILES

COC1=C(C=C(C(=C1)C[C@@H](C(=O)O)N)[123I])O

InChI

InChI=1S/C10H12INO4/c1-16-9-3-5(2-7(12)10(14)15)6(11)4-8(9)13/h3-4,7,13H,2,12H2,1H3,(H,14,15)/t7-/m0/s1/i11-4