 Home > Encyclopedia > [(1S,2S)-2-[[2,2-dimethylpropyl(nonyl)carbamoyl]amino]cyclohexyl] 3-[[(4R)-2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl]amino]propanoate

[(1S,2S)-2-[[2,2-dimethylpropyl(nonyl)carbamoyl]amino]cyclohexyl] 3-[[(4R)-2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl]amino]propanoate

[(1S,2S)-2-[[2,2-dimethylpropyl(nonyl)carbamoyl]amino]cyclohexyl] 3-[[(4R)-2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl]amino]propanoate structure

CAS No:
162490-89-3
Formula:
C33H61N3O6
Chemical Name:
[(1S,2S)-2-[[2,2-dimethylpropyl(nonyl)carbamoyl]amino]cyclohexyl] 3-[[(4R)-2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl]amino]propanoate
Synonyms:
(1s,2s)-2-(3-(2,2-dimethylpropyl)-3-nonylureido)aminocyclohexane-1-yl-3-(N-(2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl)amino)propionate;F 1394;F-1394;F 1394;CHEMBL2397474;162490-89-3;SCHEMBL666565;DTXSID30167377;BDBM50436124;[(1S,2S)-2-[[2,2-dimethylpropyl(nonyl)carbamoyl]amino]cyclohexyl] 3-[[(4R)-2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl]amino]propanoate;beta-Alanine, N-((2,2,5,5-tetramethyl-1,3-dioxan-4-yl)carbonyl)-, 2-((((2,2-dimethylpropyl)nonylamino)carbonyl)amino)cyclohexyl ester, (1S-(1alph((S*),2beta))-

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[(1S,2S)-2-[[2,2-dimethylpropyl(nonyl)carbamoyl]amino]cyclohexyl] 3-[[(4R)-2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl]amino]propanoate Basic Attributes

Molecular Weight：

595.9 g/mol

Exact Mass：

595.45603667 g/mol

DSSTox ID：

DTXSID30167377

Characteristics

PSA：

106 Å²

Drug Information

MeSH Entry Terms：

(1s,2s)-2-(3-(2,2-dimethylpropyl)-3-nonylureido)aminocyclohexane-1-yl-3-(N-(2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl)amino)propionate

Computed Properties

Molecular Weight:595.9
XLogP3:7.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:17
Exact Mass:595.45603667
Monoisotopic Mass:595.45603667
Topological Polar Surface Area:106
Heavy Atom Count:42
Complexity:853
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: sodium bromide formula; tert butanol; so3 sulfur trioxide; dimethyl terephthalate drug; dichloromethane density; n2o3 name

Guide of [(1S,2S)-2-[[2,2-dimethylpropyl(nonyl)carbamoyl]amino]cyclohexyl] 3-[[(4R)-2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl]amino]propanoate

Basic Attributes
Characteristics
Drug Information
Computed Properties

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