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N-[(2R,3R)-4-[2-(tert-butylcarbamoyl)phenyl]-3-hydroxy-1-naphthalen-2-ylsulfanylbutan-2-yl]-3-hydroxy-2-methylbenzamide

N-[(2R,3R)-4-[2-(tert-butylcarbamoyl)phenyl]-3-hydroxy-1-naphthalen-2-ylsulfanylbutan-2-yl]-3-hydroxy-2-methylbenzamide structure

CAS No:
163633-45-2
Formula:
C33H36N2O4S
Chemical Name:
N-[(2R,3R)-4-[2-(tert-butylcarbamoyl)phenyl]-3-hydroxy-1-naphthalen-2-ylsulfanylbutan-2-yl]-3-hydroxy-2-methylbenzamide
Synonyms:
AG 1254;AG1254;163633-45-2;CHEMBL128696;AG-1254;Benzamide, N-(3-(2-(((1,1-dimethylethyl)amino)carbonyl)phenyl)-2-hydroxy-1-((2-naphthalenylthio)methyl)propyl)-3-hydroxy-2-methyl-, (R-(R*,R*))-;Benzamide, N-[3-[2-[[(1,1-dimethylethyl)amino]carbonyl]phenyl]-2-hydroxy-1-[(2-naphthalenylthio)methyl]propyl]-3-hydroxy-2-methyl-, [R-(R*,R*)]-;DTXSID90167636;BDBM50061307;N-(tert-Butyl)-2-[(2R,3R)-2-hydroxy-3-(3-hydroxy-2-methylbenzoylamino)-4-(2-naphthylthio)butyl]benzamide;N-[(1R,2R)-3-(2-tert-Butylcarbamoyl-phenyl)-2-hydroxy-1-(naphthalen-2-ylsulfanylmethyl)-propyl]-3-hydroxy-2-methyl-benzamide;N-[(1R,2R)-3-[2-(tert-butylcarbamoyl)phenyl]-2-hydroxy-1-(2-naphthylsulfanylmethyl)propyl]-3-hydroxy-2-methyl-benzamide

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N-[(2R,3R)-4-[2-(tert-butylcarbamoyl)phenyl]-3-hydroxy-1-naphthalen-2-ylsulfanylbutan-2-yl]-3-hydroxy-2-methylbenzamide Basic Attributes

Molecular Weight：

556.7 g/mol

Exact Mass：

556.23957881 g/mol

DSSTox ID：

DTXSID90167636

Characteristics

PSA：

124 Å²

Computed Properties

Molecular Weight:556.7
XLogP3:6.3
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:10
Exact Mass:556.23957881
Monoisotopic Mass:556.23957881
Topological Polar Surface Area:124
Heavy Atom Count:40
Complexity:832
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: sodium bromide formula; n2o5; boron trifluoride; sif4 lewis structure; hexamethylenediamine; cl2o7

Guide of N-[(2R,3R)-4-[2-(tert-butylcarbamoyl)phenyl]-3-hydroxy-1-naphthalen-2-ylsulfanylbutan-2-yl]-3-hydroxy-2-methylbenzamide

Basic Attributes
Characteristics
Computed Properties

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