Neurokinin B (4-10), beta-asp(4)-Me-phe(7)-

Base Information

• Chemical Name: Neurokinin B (4-10), beta-asp(4)-Me-phe(7)-
• CAS No.: 114317-52-1
• Molecular Formula: C45H60 N8 O9 S
• Molecular Weight: 889.0711
• DSSTox Substance ID: DTXSID80150698
• Wikidata: Q83016874
• Mol file: 114317-52-1.mol

Synonyms:4-beta-Asp-7-Me-Phe-neurokinin B (4-10);neurokinin B (4-10), beta-Asp(4)-Me-Phe(7)-;neurokinin B (4-10), beta-aspartyl(4)-methylphenylalanine(7)-;NKB (4-10), beta-Asp(4)-Me-Phe(7)-

Chemical Property of Neurokinin B (4-10), beta-asp(4)-Me-phe(7)-

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 311.48000
• Density: 1.259g/cm³
• LogP: 5.83610
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 25
• Exact Mass: 888.42039669
• Heavy Atom Count: 63
• Complexity: 1520

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)N(C(=O)CC(C(=O)O)N)C(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)N)NC(=O)CNC(=O)C(CC3=CC=CC=C3)NC
• Isomeric SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CCSC)C(=O)N(C(=O)C[C@@H](C(=O)O)N)C(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC2=CC=CC=C2)N)NC(=O)CNC(=O)[C@H](CC3=CC=CC=C3)NC

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