The Biofilms Structural Database
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