이름: product
SMILES:
CC(C)(C)OC(=O)NC(CNC[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)COCc1ccccc1Molecular Processing
Molecular formula
C30H45N3O6
Molecular weight
543.71
Exact mass
543.3308
XLogP
4.8
TPSA
107.15
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
14
Heavy atoms
39
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.533
Molar refractivity
151.38
Supplementary Information
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