Nombre: methyl 2-[(4′-methoxy[1,1′-biphenyl]-4-yl)sulfonyl]amino-3-phenylmethoxy-4,5-epoxypentanoate
SMILES:
COC(=O)C(NS(=O)(=O)c1ccc(-c2ccc(OC)cc2)cc1)C(OCc1ccccc1)C1CO1Molecular Processing
Molecular formula
C26H27NO7S
Molecular weight
497.57
Exact mass
497.1508
XLogP
3.17
TPSA
103.46
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
11
Heavy atoms
35
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.269
Molar refractivity
129.31
Supplementary Information
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