The Biofilms Structural Database
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The Biofilms Structural Database |
HSL-Analogue |
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|---|---|
6MWZ |
|
Code
K5M | |
|
Name |
4-[3-(methylsulfonyl)phenoxy]-N-[(1S,3S,5S)-2-oxobicyclo[3.1.0]hexan-3-yl]butanamide |
|
Molecular Weight |
351.42 |
|
Isomeric SMILES |
CS(=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~{S},3~{S},5~{S})-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-/m0/s1 |
|
Atom Count |
45 |
|
InChIKey |
MNLBJMNPVMBTLW-CQDKDKBSSA-N |
|
PDB codes |
6MWZ |
|
Type |
Non-polymer |
|
Chiral Atom Count |
3 |
|
Chiral Atoms |
C03, C22, C23 |
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Bond Count |
47 |
|
Aromatic Bond Count |
6 |
|
Leaving Atoms |
n/a |