الاسم: (3S)-tetrahydro-3-furyl N-[(1S,2R)-1-benzyl-2-hydroxy-3-(N-isobutyl-4-nitrobenzene sulphonamido)propyl]carbamate
SMILES:
CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Molecular Processing
Molecular formula
C25H33N3O8S
Molecular weight
535.62
Exact mass
535.1988
XLogP
2.73
TPSA
148.31
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
12
Heavy atoms
37
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.48
Molar refractivity
135.47
Supplementary Information
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