CC(C)c1nc(CN(N)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1.Cl
SMILES: CC(C)c1nc(CN(N)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1.Cl

Molecular Processing

Molecular formula
C36H48ClN7O5S2
Molecular weight
758.41
Exact mass
757.2847
XLogP
5.57
TPSA
171.8
H-bond donors
5
H-bond acceptors
10
Rotatable bonds
17
Heavy atoms
51
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
15
Covalent units
2
Fraction Csp3
0.417
Molar refractivity
202.41

Supplementary Information

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