CC(=O)SCC(CCC(O)C(C)C)C(=O)N1CCC[C@H]1C(=O)O
Nom: 1-[2-(acetylthiomethyl)-5-hydroxy-6-methylheptanoyl]-L-proline
SMILES: CC(=O)SCC(CCC(O)C(C)C)C(=O)N1CCC[C@H]1C(=O)O

Molecular Processing

Molecular formula
C16H27NO5S
Molecular weight
345.46
Exact mass
345.161
XLogP
1.76
TPSA
94.91
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
23
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.812
Molar refractivity
89.08

Supplementary Information

Récupération des détails…

Impliqué dans 15 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→