(2S)-2-azanyl-3-[3-iodanyl-4-(3-iodanyl-4-oxidanyl-phenoxy)-5-methyl-phenyl]propanoic acid

Systemtic Name: (2S)-2-azanyl-3-[3-iodanyl-4-(3-iodanyl-4-oxidanyl-phenoxy)-5-methyl-phenyl]propanoic acid Openeye Name: (2S)-2-amino-3-[4-(4-hydroxy-3-iodo-phenoxy)-3-iodo-5-methyl-phenyl]propanoic acid CAS Name: (2S)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3-iodo-5-methylphenyl]propanoic acid IUPAC Name: (2S)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3-iodo-5-methylphenyl]propanoic acid Traditional Name: (2S)-2-amino-3-[4-(4-hydroxy-3-iodo-phenoxy)-3-iodo-5-methyl-phenyl]propionic acid Formula: C16H15I2NO4 MolecularWeight: 539.10354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)CC(C(=O)O)N)I)OC2=CC(=C(C=C2)O)I

Isomeric SMILES

CC1=C(C(=CC(=C1)C[C@@H](C(=O)O)N)I)OC2=CC(=C(C=C2)O)I

InChI

InChI=1S/C16H15I2NO4/c1-8-4-9(6-13(19)16(21)22)5-12(18)15(8)23-10-2-3-14(20)11(17)7-10/h2-5,7,13,20H,6,19H2,1H3,(H,21,22)/t13-/m0/s1