Name: (1R,2R,3R,5R,6R)-2-t-butoxycarbonylamino-3-(3,4-dichlorobenzylamino)-6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid diethyl ester
SMILES:
CCOC(=O)[C@@]1(F)[C@@H]2C[C@@H](NCc3ccc(Cl)c(Cl)c3)[C@@](NC(=O)OC(C)(C)C)(C(=O)OCC)[C@@H]21Molecular Processing
Molecular formula
C24H31Cl2FN2O6
Molecular weight
533.42
Exact mass
532.1543
XLogP
4.2
TPSA
102.96
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
35
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
5
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.625
Molar refractivity
127.89
Supplementary Information
Details werden geladen…
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