名称: (2R)-3-{3,5-bis(trifluoromethyl)benzyloxy}-2-tert-butoxycarbonylaminopropionic acid
SMILES:
CC(C)(C)OC(=O)N[C@H](COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)OMolecular Processing
Molecular formula
C17H19F6NO5
Molecular weight
431.33
Exact mass
431.1167
XLogP
4.22
TPSA
84.86
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
29
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.529
Molar refractivity
86.9
Supplementary Information
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