Name: methyl 5-((3R*,4S*)-4-{[(benzyloxy)carbonyl]amino}-3-methoxypiperidin-1-yl)-3-(1-hydroxyethyl)thiophene-2-carboxylate
SMILES:
COC(=O)c1sc(N2CC[C@H](NC(=O)OCc3ccccc3)[C@H](OC)C2)cc1C(C)OMolecular Processing
Molecular formula
C22H28N2O6S
Molecular weight
448.54
Exact mass
448.1668
XLogP
3.11
TPSA
97.33
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
31
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
117.47
Supplementary Information
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