The Biofilms Structural Database |
HSL-Analogue |
|
---|---|
6MWH |
|
Code
K5D | |
Name |
2-(3-bromophenoxy)-N-[(1S,2S,3R,5S)-2-hydroxybicyclo[3.1.0]hexan-3-yl]acetamide |
Molecular Weight |
326.19 |
Isomeric SMILES |
O[C@H]1[C@H]2C[C@H]2C[C@H]1NC(=O)COc1cccc(Br)c1 |
Formula |
C14H16BrNO3 |
Identifiers |
2-(3-bromanylphenoxy)-~{N}-[(1~{S},2~{S},3~{R},5~{S})-2-oxidanyl-3-bicyclo[3.1.0]hexanyl]ethanamide |
Formal Charge |
0 |
InChI |
InChI=1S/C14H16BrNO3/c15-9-2-1-3-10(6-9)19-7-13(17)16-12-5-8-4-11(8)14(12)18/h1-3,6,8,11-12,14,18H,4-5,7H2,(H,16,17)/t8?,11?,12-,14+/m1/s1 |
Atom Count |
35 |
InChIKey |
ZHUQGQJYDVDPGM-GJBBRRBDSA-N |
PDB codes |
6MWH |
Type |
Non-polymer |
Chiral Atom Count |
4 |
Chiral Atoms |
C02, C03, C17, C18 |
Bond Count |
37 |
Aromatic Bond Count |
6 |
Leaving Atoms |
n/a |