[(3R)-4-[[3-[2-(2-bromoacetyl)sulfanylethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl] 2,2-dimethylpropanoate
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![[(3R)-4-[[3-[2-(2-bromoacetyl)sulfanylethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl] 2,2-dimethylpropanoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/90b53ad6216144c88402f567994f5d13.png "[(3R)-4-[[3-[2-(2-bromoacetyl)sulfanylethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl] 2,2-dimethylpropanoate")
[(3R)-4-[[3-[2-(2-bromoacetyl)sulfanylethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl] 2,2-dimethylpropanoate
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CAS No:
105514-56-5
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Formula:
C18H31BrN2O6S
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Chemical Name:
[(3R)-4-[[3-[2-(2-bromoacetyl)sulfanylethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl] 2,2-dimethylpropanoate
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Synonyms:
BrAc-S-Pan;bromoacetyl-S-pantetheine 11-pivalate;Brac-S-pan;105514-56-5;Bromoacetyl-S-pantetheine 11-pivalate;DTXSID90909578;N-[3-({2-[(Bromoacetyl)sulfanyl]ethyl}imino)-3-hydroxypropyl]-4-[(2,2-dimethylpropanoyl)oxy]-2-hydroxy-3,3-dimethylbutanimidic acid
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CAS No:
[(3R)-4-[[3-[2-(2-bromoacetyl)sulfanylethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl] 2,2-dimethylpropanoate Basic Attributes
483.4 g/mol
482.10862 g/mol
Computed Properties
Molecular Weight:483.4
XLogP3:1.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:14
Exact Mass:482.10862
Monoisotopic Mass:482.10862
Topological Polar Surface Area:147
Heavy Atom Count:28
Complexity:563
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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