3-[[1-[(2-fluoranyl-4-iodanyl-phenyl)amino]-5-methyl-1,2-bis(oxidanylidene)hexan-3-yl]amino]-4-oxidanylidene-5-[2,3,5,6-tetrakis(fluoranyl)phenoxy]pentanoic acid

Systemtic Name: 3-[[1-[(2-fluoranyl-4-iodanyl-phenyl)amino]-5-methyl-1,2-bis(oxidanylidene)hexan-3-yl]amino]-4-oxidanylidene-5-[2,3,5,6-tetrakis(fluoranyl)phenoxy]pentanoic acid Openeye Name: 3-[[1-[2-(2-fluoro-4-iodo-anilino)-2-oxo-acetyl]-3-methyl-butyl]amino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid CAS Name: 3-[[1-(2-fluoro-4-iodoanilino)-5-methyl-1,2-dioxohexan-3-yl]amino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid IUPAC Name: 3-[[1-(2-fluoro-4-iodoanilino)-5-methyl-1,2-dioxohexan-3-yl]amino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid Traditional Name: 3-[[1-[2-(2-fluoro-4-iodo-anilino)-2-keto-acetyl]-3-methyl-butyl]amino]-4-keto-5-(2,3,5,6-tetrafluorophenoxy)valeric acid Formula: C24H22F5IN2O6 MolecularWeight: 656.337766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)C(=O)NC1=C(C=C(C=C1)I)F)NC(CC(=O)O)C(=O)COC2=C(C(=CC(=C2F)F)F)F

Isomeric SMILES

CC(C)CC(C(=O)C(=O)NC1=C(C=C(C=C1)I)F)NC(CC(=O)O)C(=O)COC2=C(C(=CC(=C2F)F)F)F

InChI

InChI=1S/C24H22F5IN2O6/c1-10(2)5-17(22(36)24(37)32-15-4-3-11(30)6-12(15)25)31-16(8-19(34)35)18(33)9-38-23-20(28)13(26)7-14(27)21(23)29/h3-4,6-7,10,16-17,31H,5,8-9H2,1-2H3,(H,32,37)(H,34,35)