The Biofilms Structural Database |
4-(3-(2-methyl-2-morpholinobutyl)ureido)-N-(thiazol-2-yl)benzamide |
|
---|---|
7KGX |
|
Code
WE1 | |
Name |
4-({[(2R)-2-methyl-2-(morpholin-4-yl)butyl]carbamoyl}amino)-N-(1,3-thiazol-2-yl)benzamide |
Molecular Weight |
417.52 |
Isomeric SMILES |
CC[C@](C)(CNC(=O)Nc1ccc(cc1)C(=O)Nc2nccs2)N3CCOCC3 |
Formula |
C20H27N5O3S |
Identifiers |
4-[[(2~{R})-2-methyl-2-morpholin-4-yl-butyl]carbamoylamino]-~{N}-(1,3-thiazol-2-yl)benzamide |
Formal Charge |
0 |
InChI |
InChI=1S/C20H27N5O3S/c1-3-20(2,25-9-11-28-12-10-25)14-22-18(27)23-16-6-4-15(5-7-16)17(26)24-19-21-8-13-29-19/h4-8,13H,3,9-12,14H2,1-2H3,(H,21,24,26)(H2,22,23,27)/t20-/m1/s1 |
Atom Count |
56 |
InChIKey |
DBKPEQXYKJIJBQ-HXUWFJFHSA-N |
PDB codes |
7KGX |
Type |
NON-POLYMER |
Chiral Atom Count |
1 |
Chiral Atoms |
n/a |
Bond Count |
58 |
Aromatic Bond Count |
11 |
Leaving Atoms |
n/a |