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

Systemtic Name: 5-fluoranyl-3-[[(2S)-2-[2-(5-iodanyl-2-methoxy-phenyl)ethanoylamino]butanoyl]amino]-4-oxidanylidene-pentanoic acid Openeye Name: 5-fluoro-3-[[(2S)-2-[[2-(5-iodanyl-2-methoxy-phenyl)acetyl]amino]butanoyl]amino]-4-oxo-pentanoic acid CAS Name: 5-fluoro-3-[[(2S)-2-[[2-(5-iodanyl-2-methoxyphenyl)-1-oxoethyl]amino]-1-oxobutyl]amino]-4-oxopentanoic acid IUPAC Name: 5-fluoro-3-[[(2S)-2-[[2-(5-iodanyl-2-methoxyphenyl)acetyl]amino]butanoyl]amino]-4-oxopentanoic acid Traditional Name: 5-fluoro-3-[[(2S)-2-[[2-(5-iodanyl-2-methoxy-phenyl)acetyl]amino]butanoyl]amino]-4-keto-valeric acid Formula: C18H22FIN2O6 MolecularWeight: 506.280107

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC(CC(=O)O)C(=O)CF)NC(=O)CC1=C(C=CC(=C1)I)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H22FIN2O6/c1-3-12(18(27)22-13(8-17(25)26)14(23)9-19)21-16(24)7-10-6-11(20)4-5-15(10)28-2/h4-6,12-13H,3,7-9H2,1-2H3,(H,21,24)(H,22,27)(H,25,26)/t12-,13?/m0/s1/i20-2