CCOC(=O)OC(C)OC(=O)C1=C(CSc2nc(C)ns2)CS[C@@H]2C(NC(=O)/C(=N\OC)c3cscn3)C(=O)N12
SMILES: CCOC(=O)OC(C)OC(=O)C1=C(CSc2nc(C)ns2)CS[C@@H]2C(NC(=O)/C(=N\OC)c3cscn3)C(=O)N12

Molecular Processing

Molecular formula
C22H24N6O8S4
Molecular weight
628.74
Exact mass
628.0538
XLogP
2.16
TPSA
171.5
H-bond donors
1
H-bond acceptors
16
Rotatable bonds
11
Heavy atoms
40
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
2
Formal charge
0
Heteroatoms
18
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
146.74

Supplementary Information

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