Name: (2S)-1-(N-Benzyloxycarbonyl-L-prolyl)-2-[l-hydroxy-2-(4-methoxyphenoxy)ethyl]pyrrolidine
SMILES:
COc1ccc(OCC(O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)OCc2ccccc2)cc1Molecular Processing
Molecular formula
C26H32N2O6
Molecular weight
468.55
Exact mass
468.226
XLogP
3.23
TPSA
88.54
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
34
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
125.59
Supplementary Information
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