5-fluoranyl-3-[[(2S)-2-[2-(5-iodanyl-2-phenoxy-phenyl)ethanoylamino]-3-methyl-butanoyl]amino]-4-oxidanylidene-pentanoic acid

Systemtic Name: 5-fluoranyl-3-[[(2S)-2-[2-(5-iodanyl-2-phenoxy-phenyl)ethanoylamino]-3-methyl-butanoyl]amino]-4-oxidanylidene-pentanoic acid Openeye Name: 5-fluoro-3-[[(2S)-2-[[2-(5-iodanyl-2-phenoxy-phenyl)acetyl]amino]-3-methyl-butanoyl]amino]-4-oxo-pentanoic acid CAS Name: 5-fluoro-3-[[(2S)-2-[[2-(5-iodanyl-2-phenoxyphenyl)-1-oxoethyl]amino]-3-methyl-1-oxobutyl]amino]-4-oxopentanoic acid IUPAC Name: 5-fluoro-3-[[(2S)-2-[[2-(5-iodanyl-2-phenoxyphenyl)acetyl]amino]-3-methylbutanoyl]amino]-4-oxopentanoic acid Traditional Name: 5-fluoro-3-[[(2S)-2-[[2-(5-iodanyl-2-phenoxy-phenyl)acetyl]amino]-3-methyl-butanoyl]amino]-4-keto-valeric acid Formula: C24H26FIN2O6 MolecularWeight: 582.376067

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC(=O)O)C(=O)CF)NC(=O)CC1=C(C=CC(=C1)I)OC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)NC(CC(=O)O)C(=O)CF)NC(=O)CC1=C(C=CC(=C1)[125I])OC2=CC=CC=C2

InChI

InChI=1S/C24H26FIN2O6/c1-14(2)23(24(33)27-18(12-22(31)32)19(29)13-25)28-21(30)11-15-10-16(26)8-9-20(15)34-17-6-4-3-5-7-17/h3-10,14,18,23H,11-13H2,1-2H3,(H,27,33)(H,28,30)(H,31,32)/t18?,23-/m0/s1/i26-2