SQ-28429
Basic information
- CAS
78110-38-0- Standard SMILES
C[C@H]1[C@H](NC(=O)/C(=N/OC(C)(C)C(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O- InChIKey
WZPBZJONDBGPKJ-IYZXUIDESA-N- Molecular formula
- C13H17N5O8S2
- Average molar mass
- 435.4 g/mol
- Monoisotopic mass
- 435.05185486
Overview
2-[[1-(2-amino-4-thiazolyl)-2-[[(2S,3S)-2-methyl-4-oxo-1-sulfo-3-azetidinyl]amino]-2-oxoethylidene]amino]oxy-2-methylpropanoic acid is a monobactam.
Names & identifiers
- Preferred name
- SQ-28429
- IUPAC
- 2-[(E)-[1-(2-amino-1,3-thiazol-4-yl)-2-[[(2S,3S)-2-methyl-4-oxo-1-sulfoazetidin-3-yl]amino]-2-oxoethylidene]amino]oxy-2-methylpropanoic acid
- English name
- (E)-Aztreonam
- Molecular formula
- C13H17N5O8S2
- Molecular weight
- 435.43
Names & synonyms
Aztreonam E-Isomer99341-02-3SQ-28429UNII-5Q55M3D9UA5Q55M3D9UASQ 28429DTXSID20244045AZTREONAM E-ISOMER [USP-RS](E)-2-((((2-Amino-4-thiazolyl)(((2S,3S)-2-methyl-4-oxo-1-sulfo-3-azetidinyl)carbamoyl(methylene)amino(oxy)-2-methylpropionic acidPropanoic acid, 2-(((E)-(1-(2-amino-4-thiazolyl)-2-(((2S,3S)-2-methyl-4-oxo-1-sulfo-3-azetidinyl)amino)-2-oxoethylidene)amino)oxy)-2-methyl-Propanoic acid, 2-(((1-(2-amino-4-thiazolyl)-2-((2-methyl-4-oxo-1-sulfo-3-azetidinyl)amino)-2-oxoethylidene)amino)oxy)-2-methyl-, (2S-(2alpha,3beta(E)))-AZTREONAM E-ISOMER (USP-RS)
Show more names
(E)-AztreonaE-aztreonam isomerAztreonam USP Impurity EAmpicillin USP impurity EThe E isomer of amtriannanAmronacillin USP Impurity EAztreonam USP Related Compound E
PROPANOIC ACID, 2-(((1-(2-AMINO-4-THIAZOLYL)-2-((2-METHYL-4-OXO-1-SULFO-3-AZETIDINYL)AMINO)-2-OXOETHYLIDENE)AMINO)OXY)-2-METHYL-, (2S-(2.ALPHA.,3.BETA.(E)))-RefChem:185131DTXCID20166536(E)-Aztreonam2-[(E)-[1-(2-amino-1,3-thiazol-4-yl)-2-[[(2S,3S)-2-methyl-4-oxo-1-sulfoazetidin-3-yl]amino]-2-oxoethylidene]amino]oxy-2-methylpropanoic acidCID 53620412-{[(E)-[(2-AMINO-1,3-THIAZOL-4-YL)({[(2S,3S)-2-METHYL-4-OXO-1-SULFOAZETIDIN-3-YL]CARBAMOYL})METHYLIDENE]AMINO]OXY}-2-METHYLPROPANOIC ACIDNCGC00016936-01
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 238 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 808
Experimental & physicochemical properties
Collision Cross Section
192.1 Ų [M+K]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
197.4 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- FDA UNII
- 5 Q55M3D9UA · 5Q55M3D9UA
Chemistry & industry
Applications
Uses(E)-Aztreonam is the (E)-isomer of Aztreonam (A965200), an synthetic monocyclic β-lactam antibiotic.
Additional notes
DefinitionChEBI: 2-[[1-(2-amino-4-thiazolyl)-2-[[(2S,3S)-2-methyl-4-oxo-1-sulfo-3-azetidinyl]amino]-2-oxoethylidene]amino]oxy-2-methylpropanoic acid is a monobactam.
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