N-[2-[6-[5-[(3aR,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoylamino]ethyl]-8-chloro-6-(2-chlorophenyl)-4H-[1,2,4]triazolo[1,5-a][1,4]benzodiazepine-2-carboxamide
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![N-[2-[6-[5-[(3aR,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoylamino]ethyl]-8-chloro-6-(2-chlorophenyl)-4H-[1,2,4]triazolo[1,5-a][1,4]benzodiazepine-2-carboxamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/5487888a71d74bf68e077fc9b9f805ea.png "N-[2-[6-[5-[(3aR,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoylamino]ethyl]-8-chloro-6-(2-chlorophenyl)-4H-[1,2,4]triazolo[1,5-a][1,4]benzodiazepine-2-carboxamide")
N-[2-[6-[5-[(3aR,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoylamino]ethyl]-8-chloro-6-(2-chlorophenyl)-4H-[1,2,4]triazolo[1,5-a][1,4]benzodiazepine-2-carboxamide
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CAS No:
127709-42-6
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Formula:
C35H41Cl2N9O4S
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Chemical Name:
N-[2-[6-[5-[(3aR,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoylamino]ethyl]-8-chloro-6-(2-chlorophenyl)-4H-[1,2,4]triazolo[1,5-a][1,4]benzodiazepine-2-carboxamide
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Synonyms:
biotin-(N-(2-aminoethyl)-8-chloro-6-(2-chlorophenyl)-4H(1,2,4)triazolo(3,4-a)(1,4)benzodiazepine-2-carboxamide) conjugate;biotin-1012-S;biotinylated 1012-S conjugate;127709-42-6;Biotinylated 1012-S conjugate;Biotin-1012-S;DTXSID20925963;Biotin-(N-(2-aminoethyl)-8-chloro-6-(2-chlorophenyl)-4H(1,2,4)triazolo(3,4-a)(1,4)benzodiazepine-2-carboxamide) conjugate;N-[2-[6-[5-[(3aR,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoylamino]ethyl]-8-chloro-6-(2-chlorophenyl)-4H-[1,2,4]triazolo[1,5-a][1,4]benzodiazepine-2-carboxamide;4H-(1,2,3)Triazolo(1,5-a)(1,4)benzodiazepine-2-carboxamide, 8-chloro-6-(2-chlorophenyl)-N-(2-((6-((5-(hexahydro-2-oxo-1H-thieno(3,4-d)imidazol-4-yl)-1-oxopentyl)amino)-1-oxohexyl)amino)ethyl)-, (3aS-(3aalpha,4beta,6aalpha))-;N-(2-{[8-Chloro-6-(2-chlorophenyl)-4H-[1,2,4]triazolo[1,5-a][1,4]benzodiazepine-2-carbonyl]amino}ethyl)-6-{[1-hydroxy-5-(2-hydroxy-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-6-yl)pentylidene]amino}
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CAS No:
N-[2-[6-[5-[(3aR,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoylamino]ethyl]-8-chloro-6-(2-chlorophenyl)-4H-[1,2,4]triazolo[1,5-a][1,4]benzodiazepine-2-carboxamide Basic Attributes
754.7 g/mol
753.2379274 g/mol
Drug Information
biotin-(N-(2-aminoethyl)-8-chloro-6-(2-chlorophenyl)-4H(1,2,4)triazolo(3,4-a)(1,4)benzodiazepine-2-carboxamide) conjugate
Computed Properties
Molecular Weight:754.7
XLogP3:3.8
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:16
Exact Mass:753.2379274
Monoisotopic Mass:753.2379274
Topological Polar Surface Area:197
Heavy Atom Count:51
Complexity:1270
Defined Atom Stereocenter Count:2
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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