Name: Methyl (2S)-3-(3′-amino[1,1′-biphenyl]-4-yl)-2-mesitylsulfonylamino-propanoate
SMILES:
COC(=O)[C@H](Cc1ccc(-c2cccc(N)c2)cc1)NS(=O)(=O)c1c(C)cc(C)cc1CMolecular Processing
Molecular formula
C25H28N2O4S
Molecular weight
452.58
Exact mass
452.177
XLogP
3.92
TPSA
98.49
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
32
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.24
Molar refractivity
126.77
Supplementary Information
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Involved in 1 reactions→