Nociceptin

Base Information

• Chemical Name: Nociceptin
• CAS No.: 170713-75-4
• Deprecated CAS: 171778-43-1
• Molecular Formula: C79H129 N27 O22
• Molecular Weight: 1809.06
• UNII: 7AYI9N34FF
• ChEMBL ID: CHEMBL396460
• DSSTox Substance ID: DTXSID60168933
• Wikidata: Q4327722
• Wikipedia: Nociceptin
• Mol file: 170713-75-4.mol

Synonyms:N-OFQ peptide;nociceptin;nociceptin-orphanin FQ;orphanin FQ

Chemical Property of Nociceptin

Chemical Property:

• PKA: 3.19±0.10(Predicted)
• PSA: 831.40000
• Density: 1.47±0.1 g/cm3(Predicted)
• LogP: 1.07680
• Storage Temp.: −20°C
• XLogP3: -10.2
• Hydrogen Bond Donor Count: 30
• Hydrogen Bond Acceptor Count: 27
• Rotatable Bond Count: 64
• Exact Mass: 1807.98054885
• Heavy Atom Count: 128
• Complexity: 3720

Purity/Quality:

99% ^*data from raw suppliers

Nociceptin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC(C(=O)NC(C)C(=O)NC(CC(=O)N)C(=O)NC(CCC(=O)N)C(=O)O)NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)C(C)NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)C(C)NC(=O)CNC(=O)C(C(C)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)C(CC2=CC=CC=C2)N
• Isomeric SMILES: C[C@H]([C@@H](C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)[C@H](CC2=CC=CC=C2)N)O