Name: tert-butyl(±)-[(1R,5R,6R)-6-{[(tert-butoxycarbonyl)amino]methyl}-3-{[(4-methoxybenzyl)oxy]methyl}bicyclo[3.2.0]hept-3-en-6-yl]acetate
SMILES:
COc1ccc(COCC2=C[C@H]3[C@@H](C2)C[C@@]3(CNC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)cc1Molecular Processing
Molecular formula
C28H41NO6
Molecular weight
487.64
Exact mass
487.2934
XLogP
5.42
TPSA
83.09
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
35
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.643
Molar refractivity
134.08
Supplementary Information
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