Name: (2S,4R)-4-methanesulfonyloxy-2-(4-methylsemicarbazidocarbonyl)-1-(4-nitrobenzyloxycarbonyl)pyrrolidine
SMILES:
CNC(=O)NNC(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)CN1C(=O)OCc1ccc([N+](=O)[O-])cc1Molecular Processing
Molecular formula
C16H21N5O9S
Molecular weight
459.44
Exact mass
459.106
XLogP
-0.39
TPSA
186.28
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
6
Heavy atoms
31
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
15
Covalent units
1
Fraction Csp3
0.438
Molar refractivity
103.84
Supplementary Information
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