名称: 7β-(t-Butoxycarbonyl)amino-3-[2-(N-carboethoxysulfamoyl)benzoyloxy]methyl-3-cephem-4-carboxylic acid
SMILES:
CCOC(=O)NS(=O)(=O)c1ccccc1C(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H]2SC1Molecular Processing
Molecular formula
C23H27N3O11S2
Molecular weight
585.61
Exact mass
585.1087
XLogP
1.43
TPSA
194.71
H-bond donors
3
H-bond acceptors
11
Rotatable bonds
8
Heavy atoms
39
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
16
Covalent units
1
Fraction Csp3
0.435
Molar refractivity
134.98
Supplementary Information
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