C=C(C)C(C(=O)OC(c1ccccc1)c1ccccc1)N1C(=O)C(NC(=O)COc2ccccc2)C1SSc1nc2ccccc2o1
Nom: benzhydryl 2-[2-(1,3-benzoxazol-2-yldisulfanyl)-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]-3-methylbut-3-enoate
SMILES: C=C(C)C(C(=O)OC(c1ccccc1)c1ccccc1)N1C(=O)C(NC(=O)COc2ccccc2)C1SSc1nc2ccccc2o1

Molecular Processing

Molecular formula
C36H31N3O6S2
Molecular weight
665.79
Exact mass
665.1654
XLogP
6.58
TPSA
110.97
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
13
Heavy atoms
47
Rings
6
Aromatic rings
5
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
181.38

Supplementary Information

InChIKey: FHVMJPXJOIQLBE-UHFFFAOYSA-N
Synonymes
SCHEMBL11300377FHVMJPXJOIQLBE-UHFFFAOYSA-N2-[4-(benzoxazol-2-yldithio)-3-phenoxyacetamido-2-oxoazetidin-1-yl]-3-methylene-butyric acid diphenylmethyl ester
Voir la source →
Impliqué dans 3 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→