名称: 2-[4-(p-toluenesulphonylthio)-3-phenoxyacetamido-2-oxoazetidin-1-yl]-3-benzoxy-crotonic acid p-nitrobenzyl ester
SMILES:
C/C(OCc1ccccc1)=C(/C(=O)OCc1ccc([N+](=O)[O-])cc1)N1C(=O)C(NC(=O)COc2ccccc2)C1SS(=O)(=O)c1ccc(C)cc1Molecular Processing
Molecular formula
C36H33N3O10S2
Molecular weight
731.81
Exact mass
731.1607
XLogP
5.25
TPSA
171.45
H-bond donors
1
H-bond acceptors
11
Rotatable bonds
15
Heavy atoms
51
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
15
Covalent units
1
Fraction Csp3
0.194
Molar refractivity
187.28
Supplementary Information
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