(3aR,6S,7aS)-N-tert-butyl-5-[(2R,3S)-3-[[(2S)-3-(4-fluorophenyl)sulfonyl-2-(methanesulfonamido)propanoyl]amino]-2-hydroxy-4-phenylbutyl]-3,3a,4,6,7,7a-hexahydro-2H-thieno[3,2-c]pyridine-6-carboxamide
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![(3aR,6S,7aS)-N-tert-butyl-5-[(2R,3S)-3-[[(2S)-3-(4-fluorophenyl)sulfonyl-2-(methanesulfonamido)propanoyl]amino]-2-hydroxy-4-phenylbutyl]-3,3a,4,6,7,7a-hexahydro-2H-thieno[3,2-c]pyridine-6-carboxamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/c4bc5edd47f049d7ab97dfa6209663b4.png "(3aR,6S,7aS)-N-tert-butyl-5-[(2R,3S)-3-[[(2S)-3-(4-fluorophenyl)sulfonyl-2-(methanesulfonamido)propanoyl]amino]-2-hydroxy-4-phenylbutyl]-3,3a,4,6,7,7a-hexahydro-2H-thieno[3,2-c]pyridine-6-carboxamide")
(3aR,6S,7aS)-N-tert-butyl-5-[(2R,3S)-3-[[(2S)-3-(4-fluorophenyl)sulfonyl-2-(methanesulfonamido)propanoyl]amino]-2-hydroxy-4-phenylbutyl]-3,3a,4,6,7,7a-hexahydro-2H-thieno[3,2-c]pyridine-6-carboxamide
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CAS No:
169168-43-8
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Formula:
C32H45FN4O7S3
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Chemical Name:
(3aR,6S,7aS)-N-tert-butyl-5-[(2R,3S)-3-[[(2S)-3-(4-fluorophenyl)sulfonyl-2-(methanesulfonamido)propanoyl]amino]-2-hydroxy-4-phenylbutyl]-3,3a,4,6,7,7a-hexahydro-2H-thieno[3,2-c]pyridine-6-carboxamide
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CAS No:
(3aR,6S,7aS)-N-tert-butyl-5-[(2R,3S)-3-[[(2S)-3-(4-fluorophenyl)sulfonyl-2-(methanesulfonamido)propanoyl]amino]-2-hydroxy-4-phenylbutyl]-3,3a,4,6,7,7a-hexahydro-2H-thieno[3,2-c]pyridine-6-carboxamide Basic Attributes
712.91600
712.24344147 g/mol
DTXSID20168671
Computed Properties
Molecular Weight:712.9
XLogP3:2.8
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:14
Exact Mass:712.24344147
Monoisotopic Mass:712.24344147
Topological Polar Surface Area:204
Heavy Atom Count:47
Complexity:1270
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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