COC1=CS[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2C1C(=O)OC(c1ccccc1)c1ccccc1
SMILES: COC1=CS[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2C1C(=O)OC(c1ccccc1)c1ccccc1

Molecular Processing

Molecular formula
C29H26N2O6S
Molecular weight
530.6
Exact mass
530.1512
XLogP
3.65
TPSA
94.17
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
38
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.207
Molar refractivity
141.79

Supplementary Information

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