2-azanyl-3-[4-[3,5-bis(iodanyl)-4-oxidanyl-phenoxy]-3,5-bis(iodanyl)phenyl]-N-[2-[2,5-bis(oxidanylidene)pyrrol-1-yl]ethyl]propanamide

Systemtic Name: 2-azanyl-3-[4-[3,5-bis(iodanyl)-4-oxidanyl-phenoxy]-3,5-bis(iodanyl)phenyl]-N-[2-[2,5-bis(oxidanylidene)pyrrol-1-yl]ethyl]propanamide Openeye Name: 2-amino-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-[4-(4-hydroxy-3,5-diiodo-phenoxy)-3,5-diiodo-phenyl]propanamide CAS Name: 2-amino-N-[2-(2,5-dioxo-1-pyrrolyl)ethyl]-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanamide IUPAC Name: 2-amino-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanamide Traditional Name: 2-amino-3-[4-(4-hydroxy-3,5-diiodo-phenoxy)-3,5-diiodo-phenyl]-N-(2-maleimidoethyl)propionamide Formula: C21H17I4N3O5 MolecularWeight: 898.99466

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)N(C1=O)CCNC(=O)C(CC2=CC(=C(C(=C2)I)OC3=CC(=C(C(=C3)I)O)I)I)N

Isomeric SMILES

C1=CC(=O)N(C1=O)CCNC(=O)C(CC2=CC(=C(C(=C2)I)OC3=CC(=C(C(=C3)I)O)I)I)N

InChI

InChI=1S/C21H17I4N3O5/c22-12-8-11(9-13(23)19(12)31)33-20-14(24)5-10(6-15(20)25)7-16(26)21(32)27-3-4-28-17(29)1-2-18(28)30/h1-2,5-6,8-9,16,31H,3-4,7,26H2,(H,27,32)