Home Sulfos D-Tyrosine, N-[(1,1-dimethylethoxy)carbonyl]-O-[(trifluoromethyl)sulfonyl]-, methyl ester

D-Tyrosine, N-[(1,1-dimethylethoxy)carbonyl]-O-[(trifluoromethyl)sulfonyl]-, methyl ester

CAS No.:
149709-56-8
Catalog Number:
AG00ABRE
Molecular Formula:
C16H20F3NO7S
Molecular Weight:
427.3927
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Product Description
Catalog Number:
AG00ABRE
Chemical Name:
D-Tyrosine, N-[(1,1-dimethylethoxy)carbonyl]-O-[(trifluoromethyl)sulfonyl]-, methyl ester
CAS Number:
149709-56-8
Molecular Formula:
C16H20F3NO7S
Molecular Weight:
427.3927
MDL Number:
MFCD09263336
IUPAC Name:
methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(trifluoromethylsulfonyloxy)phenyl]propanoate
InChI:
InChI=1S/C16H20F3NO7S/c1-15(2,3)26-14(22)20-12(13(21)25-4)9-10-5-7-11(8-6-10)27-28(23,24)16(17,18)19/h5-8,12H,9H2,1-4H3,(H,20,22)/t12-/m1/s1
InChI Key:
JZWGAKDJDOFGPF-GFCCVEGCSA-N
SMILES:
COC(=O)[C@@H](Cc1ccc(cc1)OS(=O)(=O)C(F)(F)F)NC(=O)OC(C)(C)C
Properties
Complexity:
645  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
427.091g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
427.391g/mol
Monoisotopic Mass:
427.091g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties