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Structure

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

CAS
40957-90-2
Catalog Number
ACM40957902
Category
Other Products
Molecular Weight
289.285 g/mol
Molecular Formula
C11H19N3O6

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Specification

Synonyms
Tabtoxin, CID107817, L-Threonine, 4-(3-hydroxy-2-oxo-3-azetidinyl)-L-2-aminobutanoyl-, (S)-, L-Threonine, N-((2S)-2-amino-4-((3S)-3-Hydroxy-2-oxo-3-azetidinyl)-1-oxobutyl)-, N-((2S)-2-Amino-4-((3S)-3-Hydroxy-2-oxo-3-azetidinyl)-1-oxobutyl)-L-threonine, 40957-90-2
IUPAC Name
(2S,3R)-2-[[(2S)-2-amino-4-[(3S)-3-hydroxy-2-oxoazetidin-3-yl]butanoyl]amino]-3-hydroxybutanoic acid
Canonical SMILES
CC(C(C(=O)O)NC(=O)C(CCC1(CNC1=O)O)N)O
InChI Key
BFSBNVPBVGFFCF-WDOVLDDZSA-N
Boiling Point
722ºC at 760mmHg
Flash Point
390.5ºC
Density
1.458g/cm³
Exact Mass
289.12700
H-Bond Acceptor
7
H-Bond Donor
6
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