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

Systemtic Name: 5-acetyloxy-3-[[(2S)-2-[2-(5-iodanyl-2-methoxy-phenyl)ethanoylamino]-3-methyl-butanoyl]amino]-4-oxidanylidene-pentanoic acid Openeye Name: 5-acetoxy-3-[[(2S)-2-[[2-(5-iodanyl-2-methoxy-phenyl)acetyl]amino]-3-methyl-butanoyl]amino]-4-oxo-pentanoic acid CAS Name: 5-acetyloxy-3-[[(2S)-2-[[2-(5-iodanyl-2-methoxyphenyl)-1-oxoethyl]amino]-3-methyl-1-oxobutyl]amino]-4-oxopentanoic acid IUPAC Name: 5-acetyloxy-3-[[(2S)-2-[[2-(5-iodanyl-2-methoxyphenyl)acetyl]amino]-3-methylbutanoyl]amino]-4-oxopentanoic acid Traditional Name: 5-acetoxy-3-[[(2S)-2-[[2-(5-iodanyl-2-methoxy-phenyl)acetyl]amino]-3-methyl-butanoyl]amino]-4-keto-valeric acid Formula: C21H27IN2O8 MolecularWeight: 560.352304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC(=O)O)C(=O)COC(=O)C)NC(=O)CC1=C(C=CC(=C1)I)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H27IN2O8/c1-11(2)20(24-18(27)8-13-7-14(22)5-6-17(13)31-4)21(30)23-15(9-19(28)29)16(26)10-32-12(3)25/h5-7,11,15,20H,8-10H2,1-4H3,(H,23,30)(H,24,27)(H,28,29)/t15?,20-/m0/s1/i22-2