(3aR,6S,7aS)-N-tert-butyl-5-[(2R,3S)-2-hydroxy-3-[[(2S)-2-(methanesulfonamido)-3-naphthalen-2-ylsulfonylpropanoyl]amino]-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)-2-hydroxy-3-[[(2S)-2-(methanesulfonamido)-3-naphthalen-2-ylsulfonylpropanoyl]amino]-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/20220811/3c69d2ad459345cd9d9c748e66460bb3.png "(3aR,6S,7aS)-N-tert-butyl-5-[(2R,3S)-2-hydroxy-3-[[(2S)-2-(methanesulfonamido)-3-naphthalen-2-ylsulfonylpropanoyl]amino]-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)-2-hydroxy-3-[[(2S)-2-(methanesulfonamido)-3-naphthalen-2-ylsulfonylpropanoyl]amino]-4-phenylbutyl]-3,3a,4,6,7,7a-hexahydro-2H-thieno[3,2-c]pyridine-6-carboxamide
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CAS No:
169168-42-7
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Formula:
C36H48N4O7S3
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Chemical Name:
(3aR,6S,7aS)-N-tert-butyl-5-[(2R,3S)-2-hydroxy-3-[[(2S)-2-(methanesulfonamido)-3-naphthalen-2-ylsulfonylpropanoyl]amino]-4-phenylbutyl]-3,3a,4,6,7,7a-hexahydro-2H-thieno[3,2-c]pyridine-6-carboxamide
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Synonyms:
169168-42-7;(3aR,6S,7aS)-N-tert-butyl-5-[(2R,3S)-2-hydroxy-3-{[N-(methylsulfonyl)-3-(naphthalen-2-ylsulfonyl)-D-alanyl]amino}-4-phenylbutyl]octahydrothieno[3,2-c]pyridine-6-carboxamide;Thieno(3,2-c)pyridine-6-carboxamide, N-(1,1-dimethylethyl)octahydro-5-(2-hydroxy-3-((2-((methylsulfonyl)amino)-3-(2-naphthalenylsulfonyl)-1-oxopropyl)amino)-4-phenylbutyl)-, (3aR-(3aalpha,5(2R*,3S*(S*)),6beta,7aalpha))-;BDBM823;CHEMBL98589;Saquinavir/Nelfinavir deriv. 27;DTXSID60168670;ZINC95545803;(3aR,6S,7aS)-N-tert-butyl-5-[(2R,3S)-2-hydroxy-3-[(2S)-2-methanesulfonamido-3-(naphthalene-2-sulfonyl)propanamido]-4-phenylbutyl]-octahydrothieno[3,2-c]pyridine-6-carboxamide;(3aR,6S,7aS)-N-tert-butyl-5-[(2R,3S)-2-hydroxy-3-[[(2S)-2-(methanesulfonamido)-3-(2-naphthylsulfonyl)propanoyl]amino]-4-phenyl-butyl]-3,3a,4,6,7,7a-hexahydro-2H-thieno[3,2-c]pyridine-6-carboxamide;Thieno[3,2-c]pyridine-6-carboxamide, N-(1,1-dimethylethyl)octahydro-5-[2-hydroxy-3-[[2-[(methylsulfonyl)amino]-3-(2-naphthalenylsulfonyl)-1-oxopropyl]amino]-4-phenylbutyl]-, [3aR-[3aa,5[2R*,3S*(S*)],6b,7aa]]-
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CAS No:
(3aR,6S,7aS)-N-tert-butyl-5-[(2R,3S)-2-hydroxy-3-[[(2S)-2-(methanesulfonamido)-3-naphthalen-2-ylsulfonylpropanoyl]amino]-4-phenylbutyl]-3,3a,4,6,7,7a-hexahydro-2H-thieno[3,2-c]pyridine-6-carboxamide Basic Attributes
745.0 g/mol
744.26851340 g/mol
DTXSID60168670
Computed Properties
Molecular Weight:745.0
XLogP3:3.9
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:14
Exact Mass:744.26851340
Monoisotopic Mass:744.26851340
Topological Polar Surface Area:204
Heavy Atom Count:50
Complexity:1370
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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