SMILES:
CCC(C)C(NC(=O)c1ccccc1S[SH](CCC(=O)O)NC(C)=O)C(=O)OMolecular Processing
Molecular formula
C18H26N2O6S2
Molecular weight
430.55
Exact mass
430.1232
XLogP
2.45
TPSA
132.8
H-bond donors
5
H-bond acceptors
5
Rotatable bonds
11
Heavy atoms
28
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
110.57
Supplementary Information
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