이름: (1S,3S,5R,6R) 2,2-Dimethyl-6-phenoxyacetamidopenam-3-carboxylic acid-1-oxide diphenylmethyl ester
SMILES:
CC1(C)[C@H](C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@@H](NC(=O)COc3ccccc3)[C@H]2[S@]1=OMolecular Processing
Molecular formula
C29H28N2O6S
Molecular weight
532.62
Exact mass
532.1668
XLogP
2.96
TPSA
102.01
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
38
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.276
Molar refractivity
141.33
Supplementary Information
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