(3S,4aS,8aS)-2-[(2R,3R)-3-Amino-2-hydroxy-4-(phenylthio)butyl]decahydro-N-(2-hydroxy-1,1-dimethylethyl)-3-isoquinolinecarboxamide
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![(3S,4aS,8aS)-2-[(2R,3R)-3-Amino-2-hydroxy-4-(phenylthio)butyl]decahydro-N-(2-hydroxy-1,1-dimethylethyl)-3-isoquinolinecarboxamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/95209bb4b5a04e32859304cdef867f0f.png "(3S,4aS,8aS)-2-[(2R,3R)-3-Amino-2-hydroxy-4-(phenylthio)butyl]decahydro-N-(2-hydroxy-1,1-dimethylethyl)-3-isoquinolinecarboxamide")
(3S,4aS,8aS)-2-[(2R,3R)-3-Amino-2-hydroxy-4-(phenylthio)butyl]decahydro-N-(2-hydroxy-1,1-dimethylethyl)-3-isoquinolinecarboxamide
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CAS No:
252186-41-7
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Formula:
C24H39N3O3S
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Chemical Name:
(3S,4aS,8aS)-2-[(2R,3R)-3-Amino-2-hydroxy-4-(phenylthio)butyl]decahydro-N-(2-hydroxy-1,1-dimethylethyl)-3-isoquinolinecarboxamide
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Synonyms:
3-Isoquinolinecarboxamide,2-[(2R,3R)-3-amino-2-hydroxy-4-(phenylthio)butyl]decahydro-N-(2-hydroxy-1,1-dimethylethyl)-,(3S,4aS,8aS)-;(3S,4aS,8aS)-2-[(2R,3R)-3-Amino-2-hydroxy-4-(phenylthio)butyl]decahydro-N-(2-hydroxy-1,1-dimethylethyl)-3-isoquinolinecarboxamide
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CAS No:
(3S,4aS,8aS)-2-[(2R,3R)-3-Amino-2-hydroxy-4-(phenylthio)butyl]decahydro-N-(2-hydroxy-1,1-dimethylethyl)-3-isoquinolinecarboxamide Basic Attributes
449.65
449.65
(3S,4aS,8aS)-2-[(2R,3R)-3-Amino-2-hydroxy-4-(phenylthio)butyl]decahydro-N-(2-hydroxy-1,1-dimethylethyl)-3-isoquinolinecarboxamide Use and Manufacturing
An intermediate in the synthesis for the metabolite of Nelfinavir
Computed Properties
Molecular Weight:449.7
XLogP3:2.7
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:9
Exact Mass:449.27121329
Monoisotopic Mass:449.27121329
Topological Polar Surface Area:124
Heavy Atom Count:31
Complexity:570
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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