CC(=O)N[C@@H](Cc1cccc(OCC2CC2)c1)[C@@H]1OC(=O)N2[C@@H]1CO[C@@H](OCC(C)(C)C)[C@@H]2C
SMILES: CC(=O)N[C@@H](Cc1cccc(OCC2CC2)c1)[C@@H]1OC(=O)N2[C@@H]1CO[C@@H](OCC(C)(C)C)[C@@H]2C

Molecular Processing

Molecular formula
C26H38N2O6
Molecular weight
474.6
Exact mass
474.273
XLogP
3.52
TPSA
86.33
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
34
Rings
4
Aromatic rings
1
Saturated rings
3
Aliphatic rings
3
Stereo centers
5
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.692
Molar refractivity
126.47

Supplementary Information

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