Name: (S)-2(2-amino-5-chloro-benzoylamino)-3-(2′-phenoxy-biphenyl-4-yl)propionic acid methyl ester
SMILES:
COC(=O)[C@H](Cc1ccc(-c2ccccc2Oc2ccccc2)cc1)NC(=O)c1cc(Cl)ccc1NMolecular Processing
Molecular formula
C29H25ClN2O4
Molecular weight
500.98
Exact mass
500.1503
XLogP
5.9
TPSA
90.65
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
36
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.103
Molar refractivity
141.23
Supplementary Information
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