Home Carbonyls (S)-Ethyl 2-((Tert-Butoxycarbonyl)Amino)-3-(4-(((Trifluoromethyl)Sulfonyl)Oxy)Phenyl)Propanoate

(S)-Ethyl 2-((Tert-Butoxycarbonyl)Amino)-3-(4-(((Trifluoromethyl)Sulfonyl)Oxy)Phenyl)Propanoate

CAS No.:
169158-01-4
Catalog Number:
AG019EUV
Molecular Formula:
C17H22F3NO7S
Molecular Weight:
441.4193
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$177
- +
250mg
95%
In Stock USA
United States
$331
- +
1g
95%
In Stock USA
United States
$662
- +
Product Description
Catalog Number:
AG019EUV
Chemical Name:
(S)-Ethyl 2-((Tert-Butoxycarbonyl)Amino)-3-(4-(((Trifluoromethyl)Sulfonyl)Oxy)Phenyl)Propanoate
CAS Number:
169158-01-4
Molecular Formula:
C17H22F3NO7S
Molecular Weight:
441.4193
MDL Number:
MFCD30472153
IUPAC Name:
ethyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(trifluoromethylsulfonyloxy)phenyl]propanoate
InChI:
InChI=1S/C17H22F3NO7S/c1-5-26-14(22)13(21-15(23)27-16(2,3)4)10-11-6-8-12(9-7-11)28-29(24,25)17(18,19)20/h6-9,13H,5,10H2,1-4H3,(H,21,23)/t13-/m0/s1
InChI Key:
YSLASSAESKIUFG-ZDUSSCGKSA-N
SMILES:
CCOC(=O)[C@H](Cc1ccc(cc1)OS(=O)(=O)C(F)(F)F)NC(=O)OC(C)(C)C
Properties
Complexity:
660  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
441.107g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
441.418g/mol
Monoisotopic Mass:
441.107g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Properties