Name: methyl ester
SMILES:
COC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)Nc1cccc2cc(O)ccc12Molecular Processing
Molecular formula
C21H26N2O6
Molecular weight
402.45
Exact mass
402.1791
XLogP
3.33
TPSA
113.96
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
29
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
108.65
Supplementary Information
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