(2S)-2-[[2-[[4-[4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl]oxy-4-oxobutanoyl]amino]acetyl]amino]-3-(4-hydroxy-3-iodanylphenyl)propanoic acid
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![(2S)-2-[[2-[[4-[4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl]oxy-4-oxobutanoyl]amino]acetyl]amino]-3-(4-hydroxy-3-iodanylphenyl)propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/1cd170d98d9e42f7a67f4442ac9bc109.png "(2S)-2-[[2-[[4-[4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl]oxy-4-oxobutanoyl]amino]acetyl]amino]-3-(4-hydroxy-3-iodanylphenyl)propanoic acid")
(2S)-2-[[2-[[4-[4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl]oxy-4-oxobutanoyl]amino]acetyl]amino]-3-(4-hydroxy-3-iodanylphenyl)propanoic acid
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CAS No:
113579-02-5
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Formula:
C36H38ClFIN3O8
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Chemical Name:
(2S)-2-[[2-[[4-[4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl]oxy-4-oxobutanoyl]amino]acetyl]amino]-3-(4-hydroxy-3-iodanylphenyl)propanoic acid
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Synonyms:
Haloperidol-succinylglycyliodotyrosine; L-Tyrosine,N-(N-(4-((4-(-chlorophenyl)-1-(4-(4-fluorophenyl)-4-oxobutyl)-4-piperidinyl)oxy)-1,4-dioxobutyl)glycyl)-3-(iodo-125I); HSGTI;
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CAS No:
(2S)-2-[[2-[[4-[4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl]oxy-4-oxobutanoyl]amino]acetyl]amino]-3-(4-hydroxy-3-iodanylphenyl)propanoic acid Basic Attributes
820.05800
819.13778 g/mol
DTXSID40150472
Computed Properties
Molecular Weight:820.1
XLogP3:2.5
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:17
Exact Mass:819.13778
Monoisotopic Mass:819.13778
Topological Polar Surface Area:162
Heavy Atom Count:50
Complexity:1160
Isotope Atom Count:1
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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