이름: di-tert-butyl (1S,2R,3S,4R,5R,6R)-2-[(tert-butoxycarbonyl)amino]-3-[(3,4-dichlorobenzyl)oxy]-4-[(methylsulfonyl)oxy]bicyclo[3.1.0]hexane-2,6-dicarboxylate
SMILES:
CC(C)(C)OC(=O)N[C@]1(C(=O)OC(C)(C)C)[C@@H]2[C@@H](C(=O)OC(C)(C)C)[C@@H]2[C@@H](OS(C)(=O)=O)[C@H]1OCc1ccc(Cl)c(Cl)c1Molecular Processing
Molecular formula
C29H41Cl2NO10S
Molecular weight
666.62
Exact mass
665.1828
XLogP
5.05
TPSA
143.53
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
14
Covalent units
1
Fraction Csp3
0.69
Molar refractivity
159.02
Supplementary Information
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