Nom: 1-[2-benzoylthio-3-methoxybutanoyl]-L-proline
SMILES:
COC(C)C(SC(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)OMolecular Processing
Molecular formula
C17H21NO5S
Molecular weight
351.42
Exact mass
351.114
XLogP
2.04
TPSA
83.91
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
24
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.471
Molar refractivity
90.99
Supplementary Information
Récupération des détails…
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