이름: N-([4-((2R,3R)-1-(4-Fluorophenyl)-3-{[2-(4-fluorophenyl)-2-oxoethyl]thio}-4-oxoazetidin-2-yl)phenoxy]acetyl}-D-valine
SMILES:
CC(C)[C@@H](NC(=O)COc1ccc([C@@H]2[C@@H](SCC(=O)c3ccc(F)cc3)C(=O)N2c2ccc(F)cc2)cc1)C(=O)OMolecular Processing
Molecular formula
C30H28F2N2O6S
Molecular weight
582.63
Exact mass
582.1636
XLogP
4.64
TPSA
113.01
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
12
Heavy atoms
41
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.267
Molar refractivity
149.94
Supplementary Information
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