3-[3,5-bis(iodanyl)-4-oxidanyl-phenyl]-2-[(2-methyl-2-oxidanyl-hept-3-ynyl)amino]propanoic acid

Systemtic Name: 3-[3,5-bis(iodanyl)-4-oxidanyl-phenyl]-2-[(2-methyl-2-oxidanyl-hept-3-ynyl)amino]propanoic acid Openeye Name: 3-(4-hydroxy-3,5-diiodo-phenyl)-2-[(2-hydroxy-2-methyl-hept-3-ynyl)amino]propanoic acid CAS Name: 3-(4-hydroxy-3,5-diiodophenyl)-2-[(2-hydroxy-2-methylhept-3-ynyl)amino]propanoic acid IUPAC Name: 3-(4-hydroxy-3,5-diiodophenyl)-2-[(2-hydroxy-2-methylhept-3-ynyl)amino]propanoic acid Traditional Name: 3-(4-hydroxy-3,5-diiodo-phenyl)-2-[(2-hydroxy-2-methyl-hept-3-ynyl)amino]propionic acid Formula: C17H21I2NO4 MolecularWeight: 557.16188

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CC(C)(CNC(CC1=CC(=C(C(=C1)I)O)I)C(=O)O)O

Isomeric SMILES

CCCC#CC(C)(CNC(CC1=CC(=C(C(=C1)I)O)I)C(=O)O)O

InChI

InChI=1S/C17H21I2NO4/c1-3-4-5-6-17(2,24)10-20-14(16(22)23)9-11-7-12(18)15(21)13(19)8-11/h7-8,14,20-21,24H,3-4,9-10H2,1-2H3,(H,22,23)