The Biofilms Structural Database

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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