CC(C)(C(=O)N1CCOCC1)S(=O)(=O)C[C@@H](Cc1ccccc1)C(=O)O
Name: (S)-α[[[1-(morpholinocarbonyl)-1-methylethyl]sulphonyl]methyl]hydrocinnamic acid
SMILES: CC(C)(C(=O)N1CCOCC1)S(=O)(=O)C[C@@H](Cc1ccccc1)C(=O)O

Molecular Processing

Molecular formula
C18H25NO6S
Molecular weight
383.47
Exact mass
383.1403
XLogP
0.98
TPSA
100.98
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
26
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
96.54

Supplementary Information

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