Nombre: 1-(2-mercaptomethyl-3-mercaptopropanoyl)-L-proline
SMILES:
O=C(O)[C@@H]1CCCN1C(=O)C(CS)CSMolecular Processing
Molecular formula
C9H15NO3S2
Molecular weight
249.36
Exact mass
249.0493
XLogP
0.54
TPSA
57.61
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
15
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.778
Molar refractivity
63.57
Supplementary Information
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