2-[[3,5-diacetamido-2,4,6-tris(iodanyl)phenyl]carbonylamino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[3,5-diacetamido-2,4,6-tris(iodanyl)phenyl]carbonylamino]-4-methyl-pentanoic acid Openeye Name: 2-[(3,5-diacetamido-2,4,6-triiodo-benzoyl)amino]-4-methyl-pentanoic acid CAS Name: 2-[[(3,5-diacetamido-2,4,6-triiodophenyl)-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[(3,5-diacetamido-2,4,6-triiodobenzoyl)amino]-4-methylpentanoic acid Traditional Name: 2-[(3,5-diacetamido-2,4,6-triiodo-benzoyl)amino]-4-methyl-valeric acid Formula: C17H20I3N3O5 MolecularWeight: 727.07121

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C1=C(C(=C(C(=C1I)NC(=O)C)I)NC(=O)C)I

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C1=C(C(=C(C(=C1I)NC(=O)C)I)NC(=O)C)I

InChI

InChI=1S/C17H20I3N3O5/c1-6(2)5-9(17(27)28)23-16(26)10-11(18)14(21-7(3)24)13(20)15(12(10)19)22-8(4)25/h6,9H,5H2,1-4H3,(H,21,24)(H,22,25)(H,23,26)(H,27,28)