名称: 5-(R)-[2-(S)-amino-3-(3,5-difluorophenyl)-1-(S)-hydroxypropyl]-2-(S)-(3-methylbutyl)-morpholine-4-carboxylic acid tert-butyl ester
SMILES:
CC(C)CC[C@H]1CN(C(=O)OC(C)(C)C)[C@@H]([C@@H](O)[C@@H](N)Cc2cc(F)cc(F)c2)CO1Molecular Processing
Molecular formula
C23H36F2N2O4
Molecular weight
442.55
Exact mass
442.2643
XLogP
3.64
TPSA
85.02
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
31
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.696
Molar refractivity
114.58
Supplementary Information
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