이름: 3-benzyloxycarbonylamino-3-(1,1-difluoro-2-methanesulfonyloxyethyl)pyrrolidine-1-carboxylic acid tert-butyl ester
SMILES:
CC(C)(C)OC(=O)N1CCC(NC(=O)OCc2ccccc2)(C(F)(F)COS(C)(=O)=O)C1Molecular Processing
Molecular formula
C20H28F2N2O7S
Molecular weight
478.51
Exact mass
478.1585
XLogP
2.9
TPSA
111.24
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
32
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
110.66
Supplementary Information
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