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1803077-47-5 | [1,1'-Biphenyl]-4-propanoic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-4'-fluoro-, (αR)-
CAS No: 1803077-47-5 Catalog No: AG0021WF MDL No:
Product Description
Catalog Number:
AG0021WF
Chemical Name:
[1,1'-Biphenyl]-4-propanoic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-4'-fluoro-, (αR)-
CAS Number:
1803077-47-5
Molecular Formula:
C20H22FNO4
Molecular Weight:
359.3914
IUPAC Name:
(2R)-3-[4-(4-fluorophenyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI:
InChI=1S/C20H22FNO4/c1-20(2,3)26-19(25)22-17(18(23)24)12-13-4-6-14(7-5-13)15-8-10-16(21)11-9-15/h4-11,17H,12H2,1-3H3,(H,22,25)(H,23,24)/t17-/m1/s1
InChI Key:
XBOKTKLCTPQDCO-QGZVFWFLSA-N
SMILES:
OC(=O)[C@@H](Cc1ccc(cc1)c1ccc(cc1)F)NC(=O)OC(C)(C)C
Properties
Complexity:
475
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
359.153g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
359.397g/mol
Monoisotopic Mass:
359.153g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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