Neurokinin B (4-10)

Base Information

• Chemical Name: Neurokinin B (4-10)
• CAS No.: 97559-39-2
• Molecular Formula: C40H58 N8 O9 S
• Molecular Weight: 827.01
• DSSTox Substance ID: DTXSID20243038
• Wikidata: Q83127008
• Mol file: 97559-39-2.mol

Synonyms:neurokinin B (4-10);NKB-(4-10)

Chemical Property of Neurokinin B (4-10)

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1252.1°Cat760mmHg
• Flash Point: 711.1°C
• PSA: 328.24000
• Density: 1.245g/cm³
• LogP: 6.64630
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 25
• Exact Mass: 826.40474663
• Heavy Atom Count: 58
• Complexity: 1390

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC(C(=O)NC(CCSC)C(=O)O)NC(=O)CNC(=O)C(C(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC(=O)N)N
• Isomeric SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CCSC)C(=O)O)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(=O)N)N