Name: (2R,3S,5R)-5-[(1S,2S)-1-hydroxy-2-acetylamino-3-(3-bromo-5-fluorophenyl)-propyl]-2-(2,2-dimethylpropoxy)-3-methylmorpholine-4-carboxylic acid tert-butyl ester
SMILES:
CC(=O)N[C@@H](Cc1cc(F)cc(Br)c1)[C@H](O)[C@H]1CO[C@@H](OCC(C)(C)C)[C@H](C)N1C(=O)OC(C)(C)CMolecular Processing
Molecular formula
C26H40BrFN2O6
Molecular weight
575.52
Exact mass
574.2054
XLogP
4.41
TPSA
97.33
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
36
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
5
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.692
Molar refractivity
137.89
Supplementary Information
Details werden geladen…
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