CC(C)C(=O)O[C@@H]1[C@@H](Cc2ccccc2)COC[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@H]1C
SMILES: CC(C)C(=O)O[C@@H]1[C@@H](Cc2ccccc2)COC[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@H]1C

Molecular Processing

Molecular formula
C24H35NO7
Molecular weight
449.54
Exact mass
449.2414
XLogP
3.27
TPSA
100.16
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
32
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.625
Molar refractivity
117.88

Supplementary Information

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