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Dapdiamide A

CAT: 0013-GTR19248461-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19248461-02Size:10 mg
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Description
Dapdiamide A is a natural antibiotic isolated from Pantoea agglomerans strain CU0119. It exhibits antibacterial properties, making it a valuable compound for research in microbiology and infectious disease, including potential in vitro studies on bacterial growth inhibition.
CAS Number
1196054-26-8
Field of Research
Infectious Disease & Virology
Smiles
[C@H] (NC ([C@H] (CNC (/C=C/C (N) =O) =O) N) =O) ([C@H] (C) C) C (O) =O
Molecular Formula
C12H20N4O5
Molecular Weight
300.311
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

dapdiamide A

Dapdiamide A is a member of the family of dapdiamides consisting of alanylvaline in which one of the methyl hydrogens of alanine is replaced by a fumaramoyl group. It is a primary carboxamide, a secondary carboxamide, an enamide and a dapdiamide. It is a tautomer of a dapdiamide A zwitterion.

CAS Number1196054-26-8
PubChem CID45380223
IUPAC Name(2S)-2-[[(2S)-2-amino-3-[[(E)-4-amino-4-oxobut-2-enoyl]amino]propanoyl]amino]-3-methylbutanoic acid
Molecular FormulaC12H20N4O5
Molecular Weight300.31
XLogP-4.2
Topological Polar Surface Area165
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count21
Formal Charge0
Complexity447
SMILES
CC(C)[C@@H](C(=O)O)NC(=O)[C@H](CNC(=O)/C=C/C(=O)N)N
InChI
InChI=1S/C12H20N4O5/c1-6(2)10(12(20)21)16-11(19)7(13)5-15-9(18)4-3-8(14)17/h3-4,6-7,10H,5,13H2,1-2H3,(H2,14,17)(H,15,18)(H,16,19)(H,20,21)/b4-3+/t7-,10-/m0/s1
InChIKey
JAGLEOBXISHNNM-BRUQVKLWSA-N
Chemical Structure
2D Structure
2D structure of dapdiamide A
CAS: 1196054-26-8
CID: 45380223
Formula: C12H20N4O5
MW: 300.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight300.31
XLogP3-4.2
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass300.14336975
Monoisotopic Mass300.14336975
Topological Polar Surface Area165 Ų
Heavy Atom Count21
Formal Charge0
Complexity447
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-N5197Dapdiamide A

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