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1017782-65-8,MFCD09972238
Catalog No.:AA0005GS
1017782-65-8 | 1-(N-Benzyl-N-(tert-butoxycarbonyl)sulfamoyl)piperidine-3-carboxylic acid
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Technical Information
Catalog Number:
AA0005GS
Chemical Name:
1-(N-Benzyl-N-(tert-butoxycarbonyl)sulfamoyl)piperidine-3-carboxylic acid
CAS Number:
1017782-65-8
Molecular Formula:
C18H26N2O6S
Molecular Weight:
398.4738
MDL Number:
MFCD09972238
IUPAC Name:
1-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]sulfamoyl]piperidine-3-carboxylic acid
InChI:
InChI=1S/C18H26N2O6S/c1-18(2,3)26-17(23)20(12-14-8-5-4-6-9-14)27(24,25)19-11-7-10-15(13-19)16(21)22/h4-6,8-9,15H,7,10-13H2,1-3H3,(H,21,22)
InChI Key:
CDHXXUPJFDHWMI-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCCN(C1)S(=O)(=O)N(C(=O)OC(C)(C)C)Cc1ccccc1
Properties
Computed Properties
 
Complexity:
631  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.151g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
398.474g/mol
Monoisotopic Mass:
398.151g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

Synonyms
 
1017782-65-8 
1-(N-Benzyl-N-(tert-butoxycarbonyl)sulfamoyl)piperidine-3-carboxylic acid 
LB-0801 
RP17182 
KS-000027G1 
AX8201807 
TR-065191 
benzyltertbutoxycarbonylaminosulfonylpiperidinecarboxylicacid 
1-[Benzyl(tert-butoxycarbonyl)sulfamoyl]piperidine-3-carboxylic acid 
1-[benzyl(tert-butoxycarbonyl)aminosulfonyl]piperidine-3-carboxylic acid 
1-({benzyl[(tert-butoxy)carbonyl]amino}sulfonyl)piperidine-3-carboxylic acid 
C18H26N2O6S 
1-{[benzyl(tert-butoxycarbonyl)amino]sulfonyl}-3-piperidinecarboxylic acid 
1-(N-Benzyl-N-(tert-butoxycarbonyl)sulfamoyl)piperidine-3-carboxylicacid 
J-503588 
CTK7I9568 
DTXSID00656485 
0465AA 
ANW-55166 
MFCD09972238 
AKOS005073352 
Literature
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