The Biofilms Structural Database

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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