名称: N-[3(S)-(benzyloxyformamido)-4-(4-fluorophenyl)-2(R)-hydroxybutyl]-L-proline tert.butyl ester
SMILES:
CC(C)(C)OC(=O)[C@@H]1CCCN1C[C@@H](O)[C@H](Cc1ccc(F)cc1)NC(=O)OCc1ccccc1Molecular Processing
Molecular formula
C27H35FN2O5
Molecular weight
486.58
Exact mass
486.253
XLogP
3.83
TPSA
88.1
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
35
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.481
Molar refractivity
130.1
Supplementary Information
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