이름: 5-(R)-[2-(S)-amino-1-(S)-hydroxy-3-(3-hydroxyphenyl)-propyl]-2-(R)-(2,2-dimethylpropoxy)-3-(S)-methylmorpholine-4-carboxylic acid tert-butyl ester
SMILES:
C[C@H]1[C@H](OCC(C)(C)C)OC[C@H]([C@@H](O)[C@@H](N)Cc2cccc(O)c2)N1C(=O)OC(C)(C)CMolecular Processing
Molecular formula
C24H40N2O6
Molecular weight
452.59
Exact mass
452.2886
XLogP
3.04
TPSA
114.48
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
32
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
5
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.708
Molar refractivity
122.26
Supplementary Information
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