Name: tert-butyl N-((1S,2R)-1-benzyl-3-(cyclohexyloxy)[(4-methoxyphenyl)sulfonyl]amino-2-hydroxypropyl)carbamate
SMILES:
COc1ccc(S(=O)(=O)NC(OC2CCCCC2)[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1Molecular Processing
Molecular formula
C28H40N2O7S
Molecular weight
548.7
Exact mass
548.2556
XLogP
4.15
TPSA
123.19
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
11
Heavy atoms
38
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.536
Molar refractivity
144.37
Supplementary Information
Details werden geladen…
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