COc1ccc(S(=O)(=O)NC(OC2CCCCC2)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)c2ccc3ccccc3n2)cc1
SMILES: COc1ccc(S(=O)(=O)NC(OC2CCCCC2)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)c2ccc3ccccc3n2)cc1

Molecular Processing

Molecular formula
C37H43N5O8S
Molecular weight
717.85
Exact mass
717.2832
XLogP
2.96
TPSA
199.04
H-bond donors
5
H-bond acceptors
9
Rotatable bonds
16
Heavy atoms
51
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
1
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.351
Molar refractivity
189.95

Supplementary Information

Récupération des détails…

Impliqué dans 2 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→