Nombre: (S)-2-amino-3-(3,4-dimethoxyphenyl)-N-((S)-1-((S)-2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl)propanamide TFA salt
SMILES:
COc1ccc(C[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@]2(C)CO2)cc1OC.O=C(O)C(F)(F)FMolecular Processing
Molecular formula
C25H29F3N2O7
Molecular weight
526.51
Exact mass
526.1927
XLogP
2.29
TPSA
140.48
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
10
Heavy atoms
37
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
2
Fraction Csp3
0.4
Molar refractivity
126.36
Supplementary Information
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