C=C=C(C(=O)OC(c1ccccc1)c1ccccc1)N1C(=O)[C@@H](NC(=O)COc2ccccc2)[C@H]1SS(=O)(=O)c1ccc(C)cc1
SMILES: C=C=C(C(=O)OC(c1ccccc1)c1ccccc1)N1C(=O)[C@@H](NC(=O)COc2ccccc2)[C@H]1SS(=O)(=O)c1ccc(C)cc1

Molecular Processing

Molecular formula
C35H30N2O7S2
Molecular weight
654.77
Exact mass
654.1494
XLogP
5.15
TPSA
119.08
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
12
Heavy atoms
46
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
173.93

Supplementary Information

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