2-[[[3,5-bis[ethanoyl(ethyl)amino]-2,4,6-tris(iodanyl)phenyl]carbonylamino]methyl]butanoic acid

Systemtic Name: 2-[[[3,5-bis[ethanoyl(ethyl)amino]-2,4,6-tris(iodanyl)phenyl]carbonylamino]methyl]butanoic acid Openeye Name: 2-[[[3,5-bis[acetyl(ethyl)amino]-2,4,6-triiodo-benzoyl]amino]methyl]butanoic acid CAS Name: 2-[[[[3,5-bis[acetyl(ethyl)amino]-2,4,6-triiodophenyl]-oxomethyl]amino]methyl]butanoic acid IUPAC Name: 2-[[[3,5-bis[acetyl(ethyl)amino]-2,4,6-triiodobenzoyl]amino]methyl]butanoic acid Traditional Name: 2-[[[3,5-bis[acetyl(ethyl)amino]-2,4,6-triiodo-benzoyl]amino]methyl]butyric acid Formula: C20H26I3N3O5 MolecularWeight: 769.15095

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C1=C(C(=C(C(=C1I)N(CC)C(=O)C)I)N(CC)C(=O)C)I)C(=O)O

Isomeric SMILES

CCC(CNC(=O)C1=C(C(=C(C(=C1I)N(CC)C(=O)C)I)N(CC)C(=O)C)I)C(=O)O

InChI

InChI=1S/C20H26I3N3O5/c1-6-12(20(30)31)9-24-19(29)13-14(21)17(25(7-2)10(4)27)16(23)18(15(13)22)26(8-3)11(5)28/h12H,6-9H2,1-5H3,(H,24,29)(H,30,31)