Nc1nc(/C(=N/OC2CCNC2=O)C(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(C[n+]4ccccc4)CS[C@H]23)cs1
SMILES: Nc1nc(/C(=N/OC2CCNC2=O)C(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(C[n+]4ccccc4)CS[C@H]23)cs1

Molecular Processing

Molecular formula
C22H21N7O6S2
Molecular weight
543.59
Exact mass
543.0995
XLogP
-2.27
TPSA
183.02
H-bond donors
3
H-bond acceptors
11
Rotatable bonds
8
Heavy atoms
37
Rings
5
Aromatic rings
2
Saturated rings
2
Aliphatic rings
3
Stereo centers
3
Undefined stereo
1
Formal charge
0
Heteroatoms
15
Covalent units
1
Fraction Csp3
0.318
Molar refractivity
129.26

Supplementary Information

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