이름: Di-tert-butyl (1S,2R,3S,4R,5R,6R)-2-(tert-butoxycarbonylamino)-3-[(4-fluoro-3-methyl-phenyl)sulfanylmethyl]-4-methylsulfonyloxy-bicyclo[3.1.0]hexane-2,6-dicarboxylate
SMILES:
Cc1cc(SC[C@@H]2[C@H](OS(C)(=O)=O)[C@H]3[C@H](C(=O)OC(C)(C)C)[C@H]3[C@]2(NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)ccc1FMolecular Processing
Molecular formula
C30H44FNO9S2
Molecular weight
645.81
Exact mass
645.2442
XLogP
5.01
TPSA
134.3
H-bond donors
1
H-bond acceptors
10
Rotatable bonds
8
Heavy atoms
43
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
6
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.7
Molar refractivity
159.33
Supplementary Information
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