Name: (2S)-Amino-3-(2′-phenoxy-biphenyl-4-yl)-propionic acid methyl ester HCl salt
SMILES:
COC(=O)[C@@H](N)Cc1ccc(-c2ccccc2Oc2ccccc2)cc1.ClMolecular Processing
Molecular formula
C22H22ClNO3
Molecular weight
383.88
Exact mass
383.1288
XLogP
4.61
TPSA
61.55
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
27
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
2
Fraction Csp3
0.136
Molar refractivity
109.34
Supplementary Information
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