이름: [2-hydroxy-3-methyl-1-(3-oxo-propylcarbamoyl)-butyl]-carbamic acid benzyl ester
SMILES:
CC(C)C(O)C(NC(=O)OCc1ccccc1)C(=O)NCCC=OMolecular Processing
Molecular formula
C17H24N2O5
Molecular weight
336.39
Exact mass
336.1685
XLogP
1
TPSA
104.73
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
24
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.471
Molar refractivity
88.09
Supplementary Information
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