The Biofilms Structural Database
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