Name: (2S)-1-(N-Benzyloxycarbonyl-L-prolyl)-2-(1-hydroxy-2-phenoxyethyl)pyrrolidine
SMILES:
O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(O)COc1ccccc1Molecular Processing
Molecular formula
C25H30N2O5
Molecular weight
438.52
Exact mass
438.2155
XLogP
3.22
TPSA
79.31
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
32
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.44
Molar refractivity
119.03
Supplementary Information
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