이름: 3-(R)-(4-fluoro-phenyl)-N-(6-formyl-1,2,3,4-tetrahydro-naphthalen-2-(R)-yl)-3-(3-trifluoromethyl-benzenesulfonylamino)-propionamide
SMILES:
O=Cc1ccc2c(c1)CC[C@@H](NC(=O)C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccc(F)cc1)C2Molecular Processing
Molecular formula
C27H24F4N2O4S
Molecular weight
548.56
Exact mass
548.1393
XLogP
4.74
TPSA
92.34
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
38
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.259
Molar refractivity
131.31
Supplementary Information
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