The Biofilms Structural Database |
HSL-Analogue |
|
---|---|
6MWL |
|
Code
K5G | |
Name |
4-(3-bromophenoxy)-N-[(3S)-2-oxothiolan-3-yl]butanamide |
Molecular Weight |
358.25 |
Isomeric SMILES |
Brc1cccc(OCCCC(=O)N[C@H]2CCSC2=O)c1 |
Formula |
C14H16BrNO3S |
Identifiers |
4-(3-bromanylphenoxy)-~{N}-[(3~{S})-2-oxidanylidenethiolan-3-yl]butanamide |
Formal Charge |
0 |
InChI |
InChI=1S/C14H16BrNO3S/c15-10-3-1-4-11(9-10)19-7-2-5-13(17)16-12-6-8-20-14(12)18/h1,3-4,9,12H,2,5-8H2,(H,16,17)/t12-/m0/s1 |
Atom Count |
36 |
InChIKey |
WTRVPDIAMVDWRQ-LBPRGKRZSA-N |
PDB codes |
6MWL |
Type |
Non-polymer |
Chiral Atom Count |
1 |
Chiral Atoms |
C12 |
Bond Count |
37 |
Aromatic Bond Count |
6 |
Leaving Atoms |
n/a |