COC(=O)C1CSC(CC(NC(=O)OC(C)(C)C)(C(=O)O)c2ccccc2)N1
SMILES: COC(=O)C1CSC(CC(NC(=O)OC(C)(C)C)(C(=O)O)c2ccccc2)N1

Molecular Processing

Molecular formula
C19H26N2O6S
Molecular weight
410.49
Exact mass
410.1512
XLogP
2.09
TPSA
113.96
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
28
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.526
Molar refractivity
104.93

Supplementary Information

Récupération des détails…

Impliqué dans 3 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→