2-[2-[2-[[4-[1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-4-oxobutanoyl]amino]ethyl]-1,3-thiazol-4-yl]-N-(3-methylsulfanylpropyl)-1,3-thiazole-4-carboxamide
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![2-[2-[2-[[4-[1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-4-oxobutanoyl]amino]ethyl]-1,3-thiazol-4-yl]-N-(3-methylsulfanylpropyl)-1,3-thiazole-4-carboxamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/0cbca607c47e4450aab7211420ed7f64.png "2-[2-[2-[[4-[1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-4-oxobutanoyl]amino]ethyl]-1,3-thiazol-4-yl]-N-(3-methylsulfanylpropyl)-1,3-thiazole-4-carboxamide")
2-[2-[2-[[4-[1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-4-oxobutanoyl]amino]ethyl]-1,3-thiazol-4-yl]-N-(3-methylsulfanylpropyl)-1,3-thiazole-4-carboxamide
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CAS No:
188637-92-5
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Formula:
C30H32ClN5O4S3
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Chemical Name:
2-[2-[2-[[4-[1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-4-oxobutanoyl]amino]ethyl]-1,3-thiazol-4-yl]-N-(3-methylsulfanylpropyl)-1,3-thiazole-4-carboxamide
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Synonyms:
188637-92-5;DTXSID10940367;3H-Benz(e)indole-3-butanamide, 1-(chloromethyl)-1,2-dihydro-5-hydroxy-N-(2-(4-(((3-(methylthio)propyl)amino)carbonyl)(2,4'-bithiazol)-2'-yl)ethyl)-gamma-oxo-, (S)-;2'-[2-({4-[1-(Chloromethyl)-5-hydroxy-1,2-dihydro-3H-benzo[e]indol-3-yl]-1-hydroxy-4-oxobutylidene}amino)ethyl]-N-[3-(methylsulfanyl)propyl][2,4'-bi-1,3-thiazole]-4-carboximidic acid
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CAS No:
2-[2-[2-[[4-[1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-4-oxobutanoyl]amino]ethyl]-1,3-thiazol-4-yl]-N-(3-methylsulfanylpropyl)-1,3-thiazole-4-carboxamide Basic Attributes
658.3 g/mol
657.1304957 g/mol
Computed Properties
Molecular Weight:658.3
XLogP3:4.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:13
Exact Mass:657.1304957
Monoisotopic Mass:657.1304957
Topological Polar Surface Area:206
Heavy Atom Count:43
Complexity:969
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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