C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(S[C@H]3C[C@@H](C(=O)N(C)C)[N+](C)(C)C3)C[C@H]12
SMILES: C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(S[C@H]3C[C@@H](C(=O)N(C)C)[N+](C)(C)C3)C[C@H]12

Molecular Processing

Molecular formula
C18H27N3O5S
Molecular weight
397.5
Exact mass
397.1671
XLogP
-1.4
TPSA
100.98
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
27
Rings
3
Aromatic rings
0
Saturated rings
2
Aliphatic rings
3
Stereo centers
5
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.722
Molar refractivity
97.91

Supplementary Information

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