CSCC(SC(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)O
名称: 1-[2-benzoylthio-3-(methylthio)propanoyl]-L-proline
SMILES: CSCC(SC(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)O

Molecular Processing

Molecular formula
C16H19NO4S2
Molecular weight
353.47
Exact mass
353.0756
XLogP
2.37
TPSA
74.68
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
23
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.438
Molar refractivity
92.9

Supplementary Information

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