이름: (2R,5R)-5-[(1S,2S)-2-Acetylamino-3-(3-benzyloxyphenyl)-1-hydroxypropyl]-2-(1-methylcyclopentylmethoxy)-morpholine-4-carboxylic acid tert-butyl ester
SMILES:
CC(=O)N[C@@H](Cc1cccc(OCc2ccccc2)c1)[C@H](O)[C@H]1CO[C@@H](OCC2(C)CCCC2)CN1C(=O)OC(C)(C)CMolecular Processing
Molecular formula
C34H48N2O7
Molecular weight
596.77
Exact mass
596.3462
XLogP
5.23
TPSA
106.56
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
11
Heavy atoms
43
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.588
Molar refractivity
163.53
Supplementary Information
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