Name: N—[(R)-1-(3′-chloro-biphenyl-4-ylmethyl)-3-methanesulfonylamino-3-oxo-propyl]-succinamic acid
SMILES:
CS(=O)(=O)NC(=O)C[C@@H](Cc1ccc(-c2cccc(Cl)c2)cc1)NC(=O)CCC(=O)OMolecular Processing
Molecular formula
C21H23ClN2O6S
Molecular weight
466.94
Exact mass
466.0965
XLogP
2.37
TPSA
129.64
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
10
Heavy atoms
31
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
117
Supplementary Information
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