SMILES:
CON=C(C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[N+]3(C)CCN(C(=O)c4cc(O)c(O)cn4)CC3)CS[C@H]12)c1nsc(N)n1Molecular Processing
Molecular formula
C24H27N9O8S2
Molecular weight
633.67
Exact mass
633.1424
XLogP
-2.72
TPSA
236.59
H-bond donors
4
H-bond acceptors
15
Rotatable bonds
8
Heavy atoms
43
Rings
5
Aromatic rings
2
Saturated rings
2
Aliphatic rings
3
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
19
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
149.18
Supplementary Information
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