이름: 1-[3-(acetylthio)-2-methoxycarbonylmethylpropanoyl]-L-proline tert-butyl ester
SMILES:
COC(=O)CC(CSC(C)=O)C(=O)N1CCC[C@H]1C(=O)OC(C)(C)CMolecular Processing
Molecular formula
C17H27NO6S
Molecular weight
373.47
Exact mass
373.1559
XLogP
1.78
TPSA
89.98
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
25
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.765
Molar refractivity
93.84
Supplementary Information
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