BIRD-PRD_000278: DECANOYL-ARG-VAL-LYS-ARG-CHLOROMETHYLKETONE

Basic information

• Entry: Database: Biologically Interesting Molecule Reference Dictionary (BIRD) / ID: PRD_000278
• Status: Status: REF ONLY
• Name: DECANOYL-ARG-VAL-LYS-ARG-CHLOROMETHYLKETONE

BIRD information

• Type: Peptide-like / Inhibitor
• Downloads: Molecular definition / Chemical definition / Family definition

Synonyms

• DECANOYL-ARG-VAL-LYS-ARG-CHLOROMETHYLKETONE (ChemicalBook)
• DECANOYL-ARG-VAL-LYS-ARG-CMK (ChemicalBook)
• DECANOYL-RVKR-CMK (ChemicalBook)
• Dec-RVKR-CMK (ChemicalBook)
• FURIN INHIBITOR I (ChemicalBook)
• Furin Convertase Inhibitor (Chloromethylketone) (ChemicalBook)
• Furin Inhibitor I (ChemicalBook)

Annotation

• Function: Inhibitor of Furin, EC: 3.4.21.75EC: Inhibitor of Furin, EC: 3.4.21.75 / Info source: PubMed: 12794637

External info

• CAS: 150113-99-8

Family

Decanoyl peptide RVKR chloromethylketone inhibitor

DECANOYL-ARG-VAL-LYS-ARG-CHLOROMETHYLKETONE

Chemical information

Composition

Formula: C₃₄H₇₁ClN₁₁O₅ / Formula weight: 749.451

• Others: Type: peptide-like

History

• External links: UniChem / ChemSpider / Wikipedia search / Google search

Details

SMILES

• ACDLabs 12.01: O=C(NC(CCCNC(=[NH2+])/N)C(O)CCl)C(NC(=O)C(NC(=O)C(NC(=O)CCCCCCCCC)CCCNC(=[NH2+])\N)C(C)C)CCCC[NH3+]
• CACTVS 3.370: CCCCCCCCCC(=O)N[CH](CCCNC(N)=[NH2+])C(=O)N[CH](C(C)C)C(=O)N[CH](CCCC[NH3+])C(=O)N[CH](CCCNC(N)=[NH2+])[CH](O)CCl
• OpenEye OEToolkits 1.7.6: CCCCCCCCCC(=O)NC(CCCNC(=[NH2+])N)C(=O)NC(C(C)C)C(=O)NC(CCCC[NH3+])C(=O)NC(CCCNC(=[NH2+])N)C(CCl)O

SMILES CANONICAL

• CACTVS 3.370: CCCCCCCCCC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])[C@H](O)CCl
• OpenEye OEToolkits 1.7.6: CCCCCCCCCC(=O)N[C@@H](CCCNC(=[NH2+])N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCNC(=[NH2+])N)C(CCl)O

InChI

• InChI 1.03: InChI=1S/C34H68ClN11O5/c1-4-5-6-7-8-9-10-18-28(48)43-25(17-14-21-42-34(39)40)31(50)46-29(23(2)3)32(51)45-26(15-11-12-19-36)30(49)44-24(27(47)22-35)16-13-20-41-33(37)38/h23-27,29,47H,4-22,36H2,1-3H3,(H,43,48)(H,44,49)(H,45,51)(H,46,50)(H4,37,38,41)(H4,39,40,42)/p+3

InChIKey

• InChI 1.03: VMJXEZLKQCJWKK-UHFFFAOYSA-Q

SYSTEMATIC NAME

• ACDLabs 12.01: N~5~-[amino(iminio)methyl]-N~2~-decanoyl-L-ornithyl-L-valyl-N-[(2R,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-6-ammonio-L-norleucinamide
• OpenEye OEToolkits 1.7.6: [[[(4S)-5-[[(2S)-1-[[(2S)-6-azaniumyl-1-[[(3S)-6-[[azaniumylidene(azanyl)methyl]amino]-1-chloranyl-2-oxidanyl-hexan-3-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-4-(decanoylamino)-5-oxidanylidene-pentyl]amino]-azanyl-methylidene]azanium

PDB entries

Showing all 2 items

PDB-1p8j:
CRYSTAL STRUCTURE OF THE PROPROTEIN CONVERTASE FURIN

PDB-5jmo:
X-ray structure of furin in complex with the inhibitory antibody Nb14