The Biofilms Structural Database
|
|
The Biofilms Structural Database |
TX1 homolog (compound 14) |
|
|---|---|
6D6L |
|
Code
FY4 | |
|
Name |
2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 4-chlorobenzoate |
|
Molecular Weight |
568.6 |
|
Isomeric SMILES |
[O-][N+](=O)c1ccccc1C(=O)NCc1cc(Br)cc(Br)c1OC(=O)c1ccc(Cl)cc1 |
|
Formula |
C21H13Br2ClN2O5 |
|
Identifiers |
[2,4-bis(bromanyl)-6-[[(2-nitrophenyl)carbonylamino]methyl]phenyl] 4-chloranylbenzoate |
|
Formal Charge |
0 |
|
InChI |
InChI=1S/C21H13Br2ClN2O5/c22-14-9-13(11-25-20(27)16-3-1-2-4-18(16)26(29)30)19(17(23)10-14)31-21(28)12-5-7-15(24)8-6-12/h1-10H,11H2,(H,25,27) |
|
Atom Count |
44 |
|
InChIKey |
ZGBRPLXRTPRBNE-UHFFFAOYSA-N |
|
PDB codes |
6D6L |
|
Type |
Non-polymer |
|
Chiral Atom Count |
0 |
|
Chiral Atoms |
n/a |
|
Bond Count |
46 |
|
Aromatic Bond Count |
18 |
|
Leaving Atoms |
n/a |