이름: Di-tert-butyl (1S,2R,3S,4S,5R,6R)-2-(tert-butoxycarbonylamino)-4-hydroxy-3-(p-tolylsulfanylmethyl)bicyclo[3.1.0]hexane-2,6-dicarboxylate
SMILES:
Cc1ccc(SC[C@@H]2[C@@H](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)cc1Molecular Processing
Molecular formula
C29H43NO7S
Molecular weight
549.73
Exact mass
549.276
XLogP
4.89
TPSA
111.16
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
38
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
6
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.69
Molar refractivity
145.66
Supplementary Information
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