The Biofilms Structural Database |
HSL-Analogue |
|
---|---|
6MWW |
|
Code
K5J | |
Name |
4-[3-(methylsulfonyl)phenoxy]-N-[(1R,3R,5R)-2-oxobicyclo[3.1.0]hexan-3-yl]butanamide |
Molecular Weight |
351.42 |
Isomeric SMILES |
S(=O)(=O)c1cccc(OCCCC(=O)N[C@@H]2C[C@H]3C[C@H]3C2=O)c1 |
Formula |
C17H21NO5S |
Identifiers |
4-(3-methylsulfonylphenoxy)-~{N}-[(1~{R},3~{R},5~{R})-2-oxidanylidene-3-bicyclo[3.1.0]hexanyl]butanamide |
Formal Charge |
0 |
InChI |
InChI=1S/C17H21NO5S/c1-24(21,22)13-5-2-4-12(10-13)23-7-3-6-16(19)18-15-9-11-8-14(11)17(15)20/h2,4-5,10-11,14-15H,3,6-9H2,1H3,(H,18,19)/t11-,14-,15-/m1/s1 |
Atom Count |
45 |
InChIKey |
MNLBJMNPVMBTLW-KCPJHIHWSA-N |
PDB codes |
6MWW |
Type |
Non-polymer |
Chiral Atom Count |
3 |
Chiral Atoms |
C03, C22, C23 |
Bond Count |
47 |
Aromatic Bond Count |
6 |
Leaving Atoms |
n/a |