Tabtoxin

(2S,3R)-2-[[(2S)-2-amino-4-[(3S)-3-hydroxy-2-oxoazetidin-3-yl]butanoyl]amino]-3-hydroxybutanoic acid

Also Known As: Tabtoxin|Wildfire toxin|beta-Tabtoxin|WILDFIRE TOXIN [MI]|(2S,3R)-2-[[(2S)-2-amino-4-[(3S)-3-hydroxy-2-oxoazetidin-3-yl]butanoyl]amino]-3-hydroxybutanoic acid|n-{(2s)-2-amino-4-[(3s)-3-hydroxy-2-oxoazetidin-3-yl]butanoyl}-l-threonine|N-((2S)-2-Amino-4-((3S)-3-Hydroxy-2-oxo-3-azetidinyl)-1-oxobutyl)-L-threonine|4-[(3S)-3-Hydroxy-2-oxo-3-azetidinyl]-L-Abu-L-Thr-OH|L-Threonine, N-((2S)-2-amino-4-((3S)-3-Hydroxy-2-oxo-3-azetidinyl)-1-oxobutyl)-|(S)-|A-(3-Hydroxy-2-oxo-3-azetidinyl)-L-|A-aminobutyryl-L-threonine|L-Threonine, 4-(3-hydroxy-2-oxo-3-azetidinyl)-L-2-aminobutanoyl-, (S)-|N-[(2S)-2-Amino-4-[(3S)-3-hydroxy-2-oxo-3-azetidinyl]-1-oxobutyl]-L-threonine|(2S,3R)-2-(((2S)-2-amino-4-((3S)-3-hydroxy-2-oxoazetidin-3-yl)butanoyl)amino)-3-hydroxybutanoic acid|(2S,3R)-2-(((2S)-2-azaniumyl-4-((3S)-3-hydroxy-2-oxoazetidin-3-yl)butanoyl)amino)-3-hydroxybutanoate|(2S,3R)-2-({(2S)-2-amino-4-[(3S)-3-hydroxy-2-oxoazetidin-3-yl]butanoyl}amino)-3-hydroxybutanoic acid|(2S,3R)-2-[(2S)-2-amino-4-[(3S)-3-hydroxy-2-oxoazetidin-3-yl]butanamido]-3-hydroxybutanoic acid

Molecular Formula	C11H19N3O6
Molecular Weight	289.12738 g/mol
LogP	-3.09
Topological Polar Surface Area	161.98 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	6
Rotatable Bonds	7
Exact Mass	289.12738
Heavy Atoms	20
Complexity	413.0

Chemical Identifiers

CAS Number	40957-90-2
SMILES	C[C@H]([C@@H](C(=O)O)NC(=O)[C@H](CC[C@@]1(CNC1=O)O)N)O