CC(C)(O/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[n+]3cc(CNC=O)c(N)n3CCO)CS[C@H]12)c1nsc(N)n1)C(=O)O
Name: 7β-[(Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(1-carboxy-1-methylethoxyimino)acetamido]-3-[3-amino-4-formamidomethyl-2-(2-hydroxyethyl)-1-pyrazolio]methyl-3-cephem-4-carboxylate
SMILES: CC(C)(O/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[n+]3cc(CNC=O)c(N)n3CCO)CS[C@H]12)c1nsc(N)n1)C(=O)O

Molecular Processing

Molecular formula
C23H28N10O9S2
Molecular weight
652.67
Exact mass
652.1482
XLogP
-4.28
TPSA
284.39
H-bond donors
6
H-bond acceptors
15
Rotatable bonds
14
Heavy atoms
44
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
21
Covalent units
1
Fraction Csp3
0.435
Molar refractivity
149.74

Supplementary Information

Fetching details…

Involved in 2 reactions→

Extended Search

Substructure Search→Similarity Search→