CN(CC(=O)c1ccc(OCC(=O)O)c(OCC(=O)O)c1)C(=O)[C@H]1CC[C@H](C(N)=S)CC1
SMILES: CN(CC(=O)c1ccc(OCC(=O)O)c(OCC(=O)O)c1)C(=O)[C@H]1CC[C@H](C(N)=S)CC1

Molecular Processing

Molecular formula
C21H26N2O8S
Molecular weight
466.51
Exact mass
466.141
XLogP
1.35
TPSA
156.46
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
11
Heavy atoms
32
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.476
Molar refractivity
116.9

Supplementary Information

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