الاسم: 5-[2-(S)-acetylamino-1-(S)-hydroxy-3-(3-hydroxyphenyl)-propyl]-2-(R)-(2,2-dimethylpropoxy)-3-(S)-methylmorpholine-4-carboxylic acid tert-butyl ester
SMILES:
CC(=O)N[C@@H](Cc1cccc(O)c1)[C@H](O)C1CO[C@@H](OCC(C)(C)C)[C@H](C)N1C(=O)OC(C)(C)CMolecular Processing
Molecular formula
C26H42N2O7
Molecular weight
494.63
Exact mass
494.2992
XLogP
3.21
TPSA
117.56
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
35
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
5
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.692
Molar refractivity
131.89
Supplementary Information
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