2-[(2-azanyl-3-phenyl-propanoyl)-iodanyl-amino]-3-(2-iodanyl-4-oxidanyl-phenyl)propanoic acid

Systemtic Name: 2-[(2-azanyl-3-phenyl-propanoyl)-iodanyl-amino]-3-(2-iodanyl-4-oxidanyl-phenyl)propanoic acid Openeye Name: 2-[(2-amino-3-phenyl-propanoyl)-iodo-amino]-3-(4-hydroxy-2-iodo-phenyl)propanoic acid CAS Name: 2-[(2-amino-1-oxo-3-phenylpropyl)-iodoamino]-3-(4-hydroxy-2-iodophenyl)propanoic acid IUPAC Name: 2-[(2-amino-3-phenylpropanoyl)-iodoamino]-3-(4-hydroxy-2-iodophenyl)propanoic acid Traditional Name: 3-(4-hydroxy-2-iodo-phenyl)-2-[iodo(phenylalanyl)amino]propionic acid Formula: C18H18I2N2O4 MolecularWeight: 580.15546

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)N(C(CC2=C(C=C(C=C2)O)I)C(=O)O)I)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)N(C(CC2=C(C=C(C=C2)O)I)C(=O)O)I)N

InChI

InChI=1S/C18H18I2N2O4/c19-14-10-13(23)7-6-12(14)9-16(18(25)26)22(20)17(24)15(21)8-11-4-2-1-3-5-11/h1-7,10,15-16,23H,8-9,21H2,(H,25,26)