Nom: 1-(2-hydroxy-3-t-butoxycarbonylamino-1-propyl)-4-[[(6R)trans-2-carboxy-8-oxo-7-[(2,5- dichlorophenylthio)acetamido]-5- thia-1-azabicyclo[4.2.0]-oct-2-en-3-yl]methylthio]pyridinium chloride
SMILES:
CC(C)(C)OC(=O)NCC(O)C[n+]1ccc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)CSc4cc(Cl)ccc4Cl)[C@H]3SC2)cc1.[Cl-]Molecular Processing
Molecular formula
C29H33Cl3N4O7S3
Molecular weight
752.16
Exact mass
750.0577
XLogP
0.79
TPSA
149.15
H-bond donors
4
H-bond acceptors
9
Rotatable bonds
12
Heavy atoms
46
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
1
Formal charge
0
Heteroatoms
17
Covalent units
2
Fraction Csp3
0.414
Molar refractivity
174.47
Supplementary Information
Récupération des détails…
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