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- BIRD-PRD_001047: (2E,4E)-N-[(2R,3S)-1-{[(5S,8S,9E)-2,7-dioxo-5-(propan-2-yl)-1,6-d... -

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Basic information

EntryDatabase: Biologically Interesting Molecule Reference Dictionary (BIRD) / ID: PRD_001047
StatusStatus: REF ONLY
Name(2E,4E)-N-[(2R,3S)-1-{[(5S,8S,9E)-2,7-dioxo-5-(propan-2-yl)-1,6-diazacyclododec-9-en-8-yl]amino}-3-hydroxy-1-oxobutan-2-yl]dodeca-2,4-dienamide

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BIRD information

TypePeptide-like / Inhibitor
DownloadsMolecular definition / Chemical definition / Family definition
Synonyms
  • SylA-GlbA (PDB)
Annotation
  • Function: inhibitor of Proteasome, EC: 3.4.25.1EC: inhibitor of Proteasome, EC: 3.4.25.1 / Info source: PubMed: 22870914
Source
  • synthetic construct (others), :
External info
FamilySyrbactin

(2E,4E)-N-[(2R,3S)-1-{[(5S,8S,9E)-2,7-dioxo-5-(propan-2-yl)-1,6-diazacyclododec-9-en-8-yl]amino}-3-hydroxy-1-oxobutan-2-yl]dodeca-2,4-dienamide / Cepafungin I / Glidobactin

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Chemical information

Composition
Formula: C29H48N4O5 / Formula weight: 532.715
OthersType: peptide-like
History
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 12.01O=C(\C=C\C=C/CCCCCCC)NC(C(=O)NC1C(=O)NC(CCC(=O)NCCC=C1)C(C)C)C(O)C
CACTVS 3.370CCCCCCCC=CC=CC(=O)N[CH]([CH](C)O)C(=O)N[CH]1C=CCCNC(=O)CC[CH](NC1=O)C(C)C
OpenEye OEToolkits 1.7.6CCCCCCCC=CC=CC(=O)NC(C(C)O)C(=O)NC1C=CCCNC(=O)CCC(NC1=O)C(C)C

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SMILES CANONICAL

CACTVS 3.370CCCCCCC/C=C/C=C/C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H]1\C=C\CCNC(=O)CC[C@@H](NC1=O)C(C)C
OpenEye OEToolkits 1.7.6CCCCCCC/C=C/C=C/C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H]1/C=C/CCNC(=O)CC[C@@H](NC1=O)C(C)C

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InChI

InChI 1.03InChI=1S/C29H48N4O5/c1-5-6-7-8-9-10-11-12-13-17-26(36)33-27(22(4)34)29(38)32-24-16-14-15-20-30-25(35)19-18-23(21(2)3)31-28(24)37/h11-14,16-17,21-24,27,34H,5-10,15,18-20H2,1-4H3,(H,30,35)(H,31,37)(H,32,38)(H,33,36)

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InChIKey

InChI 1.03MGEZRZOOXBAZBQ-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01(2E,4E)-N-[(2R,3S)-1-{[(5S,8S,9E)-2,7-dioxo-5-(propan-2-yl)-1,6-diazacyclododec-9-en-8-yl]amino}-3-hydroxy-1-oxobutan-2-yl]dodeca-2,4-dienamide
OpenEye OEToolkits 1.7.6(2E,4E)-N-[(2S,3R)-1-[[(5R,8S,9E)-2,7-bis(oxidanylidene)-5-propan-2-yl-1,6-diazacyclododec-9-en-8-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]dodeca-2,4-dienamide

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PDB entries

Showing all 1 items

PDB-4gk7:
yeast 20S proteasome in complex with the Syringolin-Glidobactin chimera

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