The Biofilms Structural Database

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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