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128779-47-5 | [1,1'-Biphenyl]-4-propanoic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-, (αR)-
CAS No: 128779-47-5 Catalog No: AG000YDR MDL No:MFCD00191185
Product Description
Catalog Number:
AG000YDR
Chemical Name:
[1,1'-Biphenyl]-4-propanoic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-, (αR)-
CAS Number:
128779-47-5
Molecular Formula:
C20H23NO4
Molecular Weight:
341.4009
MDL Number:
MFCD00191185
IUPAC Name:
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylphenyl)propanoic acid
InChI:
InChI=1S/C20H23NO4/c1-20(2,3)25-19(24)21-17(18(22)23)13-14-9-11-16(12-10-14)15-7-5-4-6-8-15/h4-12,17H,13H2,1-3H3,(H,21,24)(H,22,23)/t17-/m1/s1
InChI Key:
NBVVKAUSAGHTSU-QGZVFWFLSA-N
SMILES:
OC(=O)[C@@H](Cc1ccc(cc1)c1ccccc1)NC(=O)OC(C)(C)C
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
341.163g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
341.407g/mol
Monoisotopic Mass:
341.163g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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