The Biofilms Structural Database
Back

HSL-Analogue

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