3-[[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-3-[[3-(pyrimidin-2-ylcarbamoyl)phenyl]methyl]-1,3-diazepan-1-yl]methyl]-N-pyrimidin-2-ylbenzamide
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![3-[[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-3-[[3-(pyrimidin-2-ylcarbamoyl)phenyl]methyl]-1,3-diazepan-1-yl]methyl]-N-pyrimidin-2-ylbenzamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/3977a0e653114414a28434a52ce20ebf.png "3-[[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-3-[[3-(pyrimidin-2-ylcarbamoyl)phenyl]methyl]-1,3-diazepan-1-yl]methyl]-N-pyrimidin-2-ylbenzamide")
3-[[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-3-[[3-(pyrimidin-2-ylcarbamoyl)phenyl]methyl]-1,3-diazepan-1-yl]methyl]-N-pyrimidin-2-ylbenzamide
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CAS No:
183854-16-2
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Formula:
C43H40N8O5
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Chemical Name:
3-[[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-3-[[3-(pyrimidin-2-ylcarbamoyl)phenyl]methyl]-1,3-diazepan-1-yl]methyl]-N-pyrimidin-2-ylbenzamide
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Synonyms:
CHEMBL431017;183854-16-2;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-2-pyrimidinyl-;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-2-pyrimidinyl-;DTXSID10171492;BDBM50054165;(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-2-pyrimidinylbenzamide);(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-2-pyrimidinylbenzamide];2-{3-[4,7-dibenzyl-5,6-dihydroxy-2-oxo-3-[3-(2-pyrimidinylcarbamoyl)benzyl]-(4R,5S,6S,7R)-1,3-diazepan-1-ylmethyl]phenylcarboxamido}pyrimidine;3,3'-[[(2-Oxo-4alpha,7beta-dibenzyl-5alpha,6beta-dihydroxyhexahydro-1H-1,3-diazepine)-1,3-diyl]bismethylene]bis[N-(pyrimidin-2-yl)benzamide];3-[[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-3-[[3-(pyrimidin-2-ylcarbamoyl)phenyl]methyl]-1,3-diazepan-1-yl]methyl]-N-pyrimidin-2-yl-benzamide
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CAS No:
3-[[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-3-[[3-(pyrimidin-2-ylcarbamoyl)phenyl]methyl]-1,3-diazepan-1-yl]methyl]-N-pyrimidin-2-ylbenzamide Basic Attributes
748.8 g/mol
748.31216641 g/mol
DTXSID10171492
Computed Properties
Molecular Weight:748.8
XLogP3:4.2
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:12
Exact Mass:748.31216641
Monoisotopic Mass:748.31216641
Topological Polar Surface Area:174
Heavy Atom Count:56
Complexity:1160
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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