이름: (1S,2R,3S,4S,5R,6R)-2-(tert-butoxycarbonylamino)-3-[(4-fluoro-3-methyl-phenyl)sulfanylmethyl]-4-hydroxy-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
SMILES:
Cc1cc(SC[C@@H]2[C@@H](O)[C@H]3[C@H](C(=O)O)[C@H]3[C@]2(NC(=O)OC(C)(C)C)C(=O)O)ccc1FMolecular Processing
Molecular formula
C21H26FNO7S
Molecular weight
455.5
Exact mass
455.1414
XLogP
2.51
TPSA
133.16
H-bond donors
4
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
31
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
6
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
109.2
Supplementary Information
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