CC(=O)SCC(CSC(C)=O)C(=O)N1CCC[C@H]1C(=O)O
Nombre: (2-Acetylthiomethyl-3-(acetylthio)propanoyl]-L-proline
SMILES: CC(=O)SCC(CSC(C)=O)C(=O)N1CCC[C@H]1C(=O)O

Molecular Processing

Molecular formula
C13H19NO5S2
Molecular weight
333.43
Exact mass
333.0705
XLogP
1.24
TPSA
91.75
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
21
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.692
Molar refractivity
82.14

Supplementary Information

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