CSCC(CSC(C)=O)C(=O)N1CCC[C@H]1C(=O)O
Nom: 1-[3-(acetylthio)-2-(methylthiomethyl)propanoyl]-L-proline
SMILES: CSCC(CSC(C)=O)C(=O)N1CCC[C@H]1C(=O)O

Molecular Processing

Molecular formula
C12H19NO4S2
Molecular weight
305.42
Exact mass
305.0756
XLogP
1.32
TPSA
74.68
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
19
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.75
Molar refractivity
77.38

Supplementary Information

Récupération des détails…

Impliqué dans 43 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→