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Bulgecin C

CAT: 0013-GTR19224990-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19224990-01Size:25 mg
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Description
Bulgecin C is an O-sulfoglycopeptide that acts as a β-lactam enhancer by inhibiting lytic transglycosylases. It is used in research to study bacterial cell wall biosynthesis and to potentiate β-lactam antibiotics against Gram-negative pathogens in both in vitro and in vivo experimental models.
CAS Number
92953-56-5
Smiles
CC (=O) NC1C (O) C (OS (O) (=O) =O) C (CO) OC1OC1CC (NC1CO) C (O) =O
Molecular Formula
C14H24N2O12S
Molecular Weight
444.41
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-[3-Acetamido-4-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-2-yl]oxy-5-(hydroxymethyl)pyrrolidine-2-carboxylic acid

Bulgecin C has been reported in Pseudomonas and Pseudomonas acidophila with data available.

CAS Number92953-56-5
PubChem CID185227
IUPAC Name4-[3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-2-yl]oxy-5-(hydroxymethyl)pyrrolidine-2-carboxylic acid
Molecular FormulaC14H24N2O12S
Molecular Weight444.41
XLogP-6.5
Topological Polar Surface Area230
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count13
Rotatable Bond Count8
Heavy Atom Count29
Formal Charge0
Complexity697
SMILES
CC(=O)NC1C(C(C(OC1OC2CC(NC2CO)C(=O)O)CO)OS(=O)(=O)O)O
InChI
InChI=1S/C14H24N2O12S/c1-5(19)15-10-11(20)12(28-29(23,24)25)9(4-18)27-14(10)26-8-2-6(13(21)22)16-7(8)3-17/h6-12,14,16-18,20H,2-4H2,1H3,(H,15,19)(H,21,22)(H,23,24,25)
InChIKey
FKTBPFXEHOYGEZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-[3-Acetamido-4-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-2-yl]oxy-5-(hydroxymethyl)pyrrolidine-2-carboxylic acid
CAS: 92953-56-5
CID: 185227
Formula: C14H24N2O12S
MW: 444.41
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight444.41
XLogP3-6.5
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count13
Rotatable Bond Count8
Exact Mass444.10499538
Monoisotopic Mass444.10499538
Topological Polar Surface Area230 Ų
Heavy Atom Count29
Formal Charge0
Complexity697
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count8
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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