CN(C)C(=O)[C@H]1CC[C@@H](OS(C)(=O)=O)[C@H](NS(=O)(=O)NC(=O)OCc2ccccc2)C1
SMILES: CN(C)C(=O)[C@H]1CC[C@@H](OS(C)(=O)=O)[C@H](NS(=O)(=O)NC(=O)OCc2ccccc2)C1

Molecular Processing

Molecular formula
C18H27N3O8S2
Molecular weight
477.56
Exact mass
477.124
XLogP
0.35
TPSA
148.18
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
31
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
111.36

Supplementary Information

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