COC(=O)c1csc(NC(=O)C(Cc2ccc(C(N)=O)cc2)N2C(=O)NC(O)(c3ccc4c(c3)OCO4)C2=O)n1
SMILES: COC(=O)c1csc(NC(=O)C(Cc2ccc(C(N)=O)cc2)N2C(=O)NC(O)(c3ccc4c(c3)OCO4)C2=O)n1

Molecular Processing

Molecular formula
C25H21N5O9S
Molecular weight
567.54
Exact mass
567.106
XLogP
0.7
TPSA
199.48
H-bond donors
4
H-bond acceptors
11
Rotatable bonds
8
Heavy atoms
40
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
15
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
136.37

Supplementary Information

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