이름: (2R,5R)-5-[(1S,2S)-2-acetylamino-1-hydroxy-3-(3-hydroxyphenyl)-propyl]-2-(1-methylcyclopentylmethoxy)-morpholine-4-carboxylic acid tert-butyl ester
SMILES:
CC(=O)N[C@@H](Cc1cccc(O)c1)[C@H](O)[C@H]1CO[C@@H](OCC2(C)CCCC2)CN1C(=O)OC(C)(C)CMolecular Processing
Molecular formula
C27H42N2O7
Molecular weight
506.64
Exact mass
506.2992
XLogP
3.36
TPSA
117.56
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
36
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.704
Molar refractivity
134.42
Supplementary Information
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