C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](c4csc(N)n4)C3)[C@H](C)[C@H]12
SMILES: C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](c4csc(N)n4)C3)[C@H](C)[C@H]12

Molecular Processing

Molecular formula
C17H22N4O4S2
Molecular weight
410.52
Exact mass
410.1082
XLogP
1.02
TPSA
128.78
H-bond donors
4
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
27
Rings
4
Aromatic rings
1
Saturated rings
2
Aliphatic rings
3
Stereo centers
6
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.588
Molar refractivity
102.9

Supplementary Information

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