N-(cyanomethyl)-3-[[(4R,5S,6S,7R)-4,7-dibenzyl-3-[[3-(cyanomethylcarbamoyl)phenyl]methyl]-5,6-dihydroxy-2-oxo-1,3-diazepan-1-yl]methyl]benzamide
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![N-(cyanomethyl)-3-[[(4R,5S,6S,7R)-4,7-dibenzyl-3-[[3-(cyanomethylcarbamoyl)phenyl]methyl]-5,6-dihydroxy-2-oxo-1,3-diazepan-1-yl]methyl]benzamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/a5a3daaf38e84b4e8f2dc42e2b51adb7.png "N-(cyanomethyl)-3-[[(4R,5S,6S,7R)-4,7-dibenzyl-3-[[3-(cyanomethylcarbamoyl)phenyl]methyl]-5,6-dihydroxy-2-oxo-1,3-diazepan-1-yl]methyl]benzamide")
N-(cyanomethyl)-3-[[(4R,5S,6S,7R)-4,7-dibenzyl-3-[[3-(cyanomethylcarbamoyl)phenyl]methyl]-5,6-dihydroxy-2-oxo-1,3-diazepan-1-yl]methyl]benzamide
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CAS No:
183860-47-1
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Formula:
C39H38N6O5
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Chemical Name:
N-(cyanomethyl)-3-[[(4R,5S,6S,7R)-4,7-dibenzyl-3-[[3-(cyanomethylcarbamoyl)phenyl]methyl]-5,6-dihydroxy-2-oxo-1,3-diazepan-1-yl]methyl]benzamide
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Synonyms:
CHEMBL86454;183860-47-1;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-(cyanomethyl)-;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-(cyanomethyl)-;DTXSID30171510;BDBM50054169;(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-(cyanomethyl)benzamide);N-(cyanomethyl)-3-[[(4R,5S,6S,7R)-4,7-dibenzyl-3-[[3-(cyanomethylcarbamoyl)phenyl]methyl]-5,6-dihydroxy-2-oxo-1,3-diazepan-1-yl]methyl]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-(cyanomethyl)benzamide];(4R)-1,3-Bis[3-(cyanomethylcarbamoyl)benzyl]-4alpha,7beta-dibenzyl-5alpha,6beta-dihydroxyhexahydro-2H-1,3-diazepine-2-one;1N-cyanomethyl-3-[4,7-dibenzyl-3-(3-cyanomethylcarbamoylbenzyl)-5,6-dihydroxy-2-oxo-(4R,5S,6S,7R)-1,3-diazepan-1-ylmethyl]benzamide
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CAS No:
N-(cyanomethyl)-3-[[(4R,5S,6S,7R)-4,7-dibenzyl-3-[[3-(cyanomethylcarbamoyl)phenyl]methyl]-5,6-dihydroxy-2-oxo-1,3-diazepan-1-yl]methyl]benzamide Basic Attributes
670.8 g/mol
670.29036833 g/mol
DTXSID30171510
Computed Properties
Molecular Weight:670.8
XLogP3:3.4
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:12
Exact Mass:670.29036833
Monoisotopic Mass:670.29036833
Topological Polar Surface Area:170
Heavy Atom Count:50
Complexity:1140
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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