الاسم: 4-[(2-{(2R)-2-[(1E,3S)-3-hydroxyoct-1-enyl]-5-oxopyrrolidin-1-yl}ethyl)thio] butanoic acid methyl ester
SMILES:
CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCSCCCC(=O)OCMolecular Processing
Molecular formula
C19H33NO4S
Molecular weight
371.54
Exact mass
371.213
XLogP
3.16
TPSA
66.84
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
13
Heavy atoms
25
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.789
Molar refractivity
102.6
Supplementary Information
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