Название: 2-(S)-(2-Acetoxymethyl-4-amino-3-methyl-benzyl)-succinic acid diethyl ester
SMILES:
CCOC(=O)C[C@H](Cc1ccc(N)c(C)c1COC(C)=O)C(=O)OCCMolecular Processing
Molecular formula
C19H27NO6
Molecular weight
365.43
Exact mass
365.1838
XLogP
2.32
TPSA
104.92
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
26
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.526
Molar refractivity
96.14
Supplementary Information
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