이름: Methyl ester
SMILES:
C=CCOc1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)OC)cc1Molecular Processing
Molecular formula
C24H36N2O6
Molecular weight
448.56
Exact mass
448.2573
XLogP
3.39
TPSA
102.96
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
11
Heavy atoms
32
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.542
Molar refractivity
122.4
Supplementary Information
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