Enopeptin A
Grundinformationen
- CAS
139601-96-0- Standard-SMILES
C[C@@H]1C[C@H]2C(=O)OC[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)/C=C/C=C/C=C/C=C/C=C/C(=O)NC3=C(O)CCC3=O)C(=O)N3CCC[C@H]3C(=O)N(C)[C@@H](C)C(=O)N[C@@H](C)C(=O)N2C1- InChIKey
ODKIYTBYJKALOK-BKZRIAMSSA-N- Summenformel
- C47H57N7O11
- Durchschnittliche Molmasse
- 896 g/mol
- Monoisotopische Masse
- 895,41160566
Überblick
Enopeptin A is a cyclodepsipeptide.
Namen und Bezeichner
- Bevorzugter Name
- Enopeptin A
- IUPAC
- (2E,4E,6E,8E,10E)-N-(2-hydroxy-5-oxocyclopenten-1-yl)-N'-[(2S)-1-oxo-3-phenyl-1-[[(3S,7S,9R,13S,16S,19S)-9,13,16,17-tetramethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]amino]propan-2-yl]dodeca-2,4,6,8,10-pentaenediamide
- Englischer Name
- enopeptin A
- Summenformel
- C47H57N7O11
- Molmasse
- 896.005
Namen und Synonyme
Enopeptin A139601-96-0(2E,4E,6E,8E,10E)-N-(2-Hydroxy-5-oxocyclopenten-1-yl)-N'-[(2S)-1-oxo-3-phenyl-1-[[(3S,7S,9R,13S,16S,19S)-9,13,16,17-tetramethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]amino]propan-2-yl]dodeca-2,4,6,8,10-pentaenediamide(2E,4E,6E,8E,10E)-N-(2-hydroxy-5-oxocyclopenten-1-yl)-N'-((2S)-1-oxo-3-phenyl-1-(((3S,7S,9R,13S,16S,19S)-9,13,16,17-tetramethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo(17.3.0.07,11)docosan-3-yl)amino)propan-2-yl)dodeca-2,4,6,8,10-pentaenediamideRefChem:136978CHEMBL4549588NSC657143(4R)-N-[(2E,4E,6E,8E,10E)-12-[(2-Hydroxy-5-oxo-1-cyclopenten-1-yl)amino]-1,12-dioxo-2,4,6,8,10-dodecapentaen-1-yl]-L-phenylalanyl-L-seryl-L-prolyl-L-proline, (6 inverted exclamation marku2)-lactoneC47H57N7O11SCHEMBL29885009CHEBI:223681(4R)-N-[(2E,4E,6E,8E,10E)-12-[(2-Hydroxy-5-oxo-1-cyclopenten-1-yl)amino]-1,12-dioxo-2,4,6,8,10-dodecapentaen-1-yl]-L-phenylalanyl-L-seryl-L-prolyl-L-proline, (6-->2)-lactone
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Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,7
- Polarare Oberfläche (TPSA)
- 241 Ų
- H-Brücken-Donoren
- 5
- H-Brücken-Akzeptoren
- 11
- Frei drehbare Bindungen
- 12
- Schwere Atome
- 65
- Formalladung
- 0
- Komplexität
- 2.030
Physikochemische Eigenschaften
- storage temp.
- -20 °C · Store at -20°C
- Löslichkeit
- DMF: soluble; DMSO: soluble; Ethanol: soluble; Methanol: soluble
- Aggregatzustand
- A solid
Chemie und Industrie
Anwendungen
VerwendenEnopeptin A is an unusual depsipeptide featuring a pentaenone side chain, reported as an antiviral by researchers at RIKEN in 1991. Enopeptin A has potent antibacterial activity against Gram positive and Gram negative bacteria, including MRSA. Enopeptin A is the most non-polar of the acyldepsipeptide (ADEP) antibiotics which include the recently rediscovered compounds, A54556 A and B, that act by activating and disregulating Clp-family proteins.
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