Name: (2S)-(2-amino-5-bromo-benzoylamino)-3-(2′-phenoxy-biphenyl-4-yl)-propionic acid methyl ester
SMILES:
COC(=O)[C@H](Cc1ccc(-c2ccccc2Oc2ccccc2)cc1)NC(=O)c1cc(Br)ccc1NMolecular Processing
Molecular formula
C29H25BrN2O4
Molecular weight
545.43
Exact mass
544.0998
XLogP
6
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
143.92
Supplementary Information
Details werden geladen…
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