 Home > Encyclopedia > (1R,2S,5S)-3-[(S)-2-(3-TERT-BUTYL-UREIDO)-3,3-DIMETHYL-BUTYRYL]-6,6-DIMETHYL-3-AZA-BICYCLO[3.1.0]HEXANE-2-CARBOXYLICACID

(1R,2S,5S)-3-[(S)-2-(3-TERT-BUTYL-UREIDO)-3,3-DIMETHYL-BUTYRYL]-6,6-DIMETHYL-3-AZA-BICYCLO[3.1.0]HEXANE-2-CARBOXYLICACID

(1R,2S,5S)-3-[(S)-2-(3-TERT-BUTYL-UREIDO)-3,3-DIMETHYL-BUTYRYL]-6,6-DIMETHYL-3-AZA-BICYCLO[3.1.0]HEXANE-2-CARBOXYLICACID structure

CAS No:
816444-90-3
Formula:
C19H33N3O4
Chemical Name:
(1R,2S,5S)-3-[(S)-2-(3-TERT-BUTYL-UREIDO)-3,3-DIMETHYL-BUTYRYL]-6,6-DIMETHYL-3-AZA-BICYCLO[3.1.0]HEXANE-2-CARBOXYLICACID
Synonyms:
(1R,2S,5S)-3-[(S)-2-(3-TERT-BUTYL-UREIDO)-3,3-DIMETHYL-BUTYRYL]-6,6-DIMETHYL-3-AZA-BICYCLO[3.1.0]HEXANE-2-CARBOXYLIC ACID;Boceprevir Metabolite M4;(1R,2S,5S)-3-[(2S)-2-[[[[1,1-DiMethylethyl]aMino]carbonyl]aMino]-3,3-diMethyl-1-oxobutyl]-6,6-diMethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic Acid;(1R,2S,5S)-3-((S)-2-(3-tert-butylureido)-3,3-diMethylbutanoyl)-6,6-diMethyl-3-aza-bicyclo[3.1.0]hexane-2-carboxylic acid;3-Azabicyclo[3.1.0]hexane-2-carboxylicacid,3-[(2S)-2-[[[(1,1-diMethylethyl)aMino]carbonyl]aMino]-3,3-diMethyl-1-oxobutyl]-6,6-diMethyl-,(1R,2S,5S)-;Boceprevir metabolite 4

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(1R,2S,5S)-3-[(S)-2-(3-TERT-BUTYL-UREIDO)-3,3-DIMETHYL-BUTYRYL]-6,6-DIMETHYL-3-AZA-BICYCLO[3.1.0]HEXANE-2-CARBOXYLICACID Basic Attributes

Molecular Weight：

367.48

Exact Mass：

367.24710654

UNII：

QX2Y9CCT6J

DSSTox ID：

DTXSID10468137

Characteristics

Density：

1.133

Boiling Point：

571.9±35.0 °C(Predicted)

PKA：

3.54±0.40

(1R,2S,5S)-3-[(S)-2-(3-TERT-BUTYL-UREIDO)-3,3-DIMETHYL-BUTYRYL]-6,6-DIMETHYL-3-AZA-BICYCLO[3.1.0]HEXANE-2-CARBOXYLICACID Use and Manufacturing

A metabolite of the Hepatitis C virus NS3 serine protease inhibitor Boceprevir (B675500).

Computed Properties

Molecular Weight:367.5
XLogP3:2.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:367.24710654
Monoisotopic Mass:367.24710654
Topological Polar Surface Area:98.7
Heavy Atom Count:26
Complexity:615
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (1R,2S,5S)-3-[(S)-2-(3-TERT-BUTYL-UREIDO)-3,3-DIMETHYL-BUTYRYL]-6,6-DIMETHYL-3-AZA-BICYCLO[3.1.0]HEXANE-2-CARBOXYLICACID

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties

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