Название: (2S,3S)-2-amino-3-hydroxy-N-((S)-3-(4-methoxyphenyl)-1-(((S)-1-((R)-2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl)amino)-1-oxopropan-2-yl)butanamide TFA salt
SMILES:
COc1ccc(C[C@H](NC(=O)[C@@H](N)[C@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)cc1.O=C(O)C(F)(F)FMolecular Processing
Molecular formula
C28H34F3N3O8
Molecular weight
597.59
Exact mass
597.2298
XLogP
1.15
TPSA
180.58
H-bond donors
5
H-bond acceptors
8
Rotatable bonds
12
Heavy atoms
42
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
5
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
2
Fraction Csp3
0.429
Molar refractivity
143.42
Supplementary Information
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