3-[[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-3-[[3-[[5-(trifluoromethyl)pyridin-2-yl]carbamoyl]phenyl]methyl]-1,3-diazepan-1-yl]methyl]-N-[5-(trifluoromethyl)pyridin-2-yl]benzamide
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![3-[[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-3-[[3-[[5-(trifluoromethyl)pyridin-2-yl]carbamoyl]phenyl]methyl]-1,3-diazepan-1-yl]methyl]-N-[5-(trifluoromethyl)pyridin-2-yl]benzamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/fadeae7155e944a19dae5050a583d81f.png "3-[[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-3-[[3-[[5-(trifluoromethyl)pyridin-2-yl]carbamoyl]phenyl]methyl]-1,3-diazepan-1-yl]methyl]-N-[5-(trifluoromethyl)pyridin-2-yl]benzamide")
3-[[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-3-[[3-[[5-(trifluoromethyl)pyridin-2-yl]carbamoyl]phenyl]methyl]-1,3-diazepan-1-yl]methyl]-N-[5-(trifluoromethyl)pyridin-2-yl]benzamide
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CAS No:
183856-69-1
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Formula:
C47H40F6N6O5
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Chemical Name:
3-[[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-3-[[3-[[5-(trifluoromethyl)pyridin-2-yl]carbamoyl]phenyl]methyl]-1,3-diazepan-1-yl]methyl]-N-[5-(trifluoromethyl)pyridin-2-yl]benzamide
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Synonyms:
CHEMBL315825;183856-69-1;Benzamide, 3,3'-(((4R,5S,6S,7R)-tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1H-1,3-diazepine-1,3(2H)-diyl)bis(methylene))bis(N-(5-(trifluoromethyl)-2-pyridinyl)-;Benzamide, 3,3'-[[(4R,5S,6S,7R)-tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1H-1,3-diazepine-1,3(2H)-diyl]bis(methylene)]bis[N-[5-(trifluoromethyl)-2-pyridinyl]-;DTXSID20171504;BDBM50054182;(4aalpha,5alpha,6beta,7beta)-3,3'-(Tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethy)-1H-1,3-diazepine-1,3(2H)-diyl)bis(methylene)bis(N-(5-trifluoromethyl-2-pyridinyl)benzamide);(4a.alpha.,5.alpha.,6.beta.,7.beta.)-3,3'-[Tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethy)-1H-1,3-diazepine-1,3(2H)-diyl]bis(methylene)bis[N-(5-trifluoromethyl-2-pyridinyl)benzamide];(4R)-1,3-Bis[3-(5-trifluoromethyl-2-pyridylcarbamoyl)benzyl]-4alpha,7beta-dibenzyl-5alpha,6beta-dihydroxyhexahydro-2H-1,3-diazepine-2-one;2-{3-[4,7-dibenzyl-5,6-dihydroxy-2-oxo-3-[3-(5-trifluoromethyl-2-pyridylcarbamoyl)benzyl]-(4R,5S,6S,7R)-1,3-diazepan-1-ylmethyl]phenylcarboxamido}-5-trifluoromethylpyridine;3-[[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-3-[[3-[[5-(trifluoromethyl)-2-pyridyl]carbamoyl]phenyl]methyl]-1,3-diazepan-1-yl]methyl]-N-[5-(trifluoromethyl)-2-pyridyl]benzamide
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CAS No:
3-[[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-3-[[3-[[5-(trifluoromethyl)pyridin-2-yl]carbamoyl]phenyl]methyl]-1,3-diazepan-1-yl]methyl]-N-[5-(trifluoromethyl)pyridin-2-yl]benzamide Basic Attributes
882.8 g/mol
882.29643737 g/mol
DTXSID20171504
Computed Properties
Molecular Weight:882.8
XLogP3:7.3
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:12
Exact Mass:882.29643737
Monoisotopic Mass:882.29643737
Topological Polar Surface Area:148
Heavy Atom Count:64
Complexity:1420
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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