TIPP-psi

Base Information

• Chemical Name: TIPP-psi
• CAS No.: 159992-07-1
• Molecular Formula: C37H40 N4 O5
• Molecular Weight: 620.74
• DSSTox Substance ID: DTXSID40415533
• Nikkaji Number: J564.812B
• Wikidata: Q27088997
• Pharos Ligand ID: Q1BCUA5WN3WK
• ChEMBL ID: CHEMBL3038183
• Mol file: 159992-07-1.mol

Synonyms:H-Tyr-Tic-psi(CH2NH)Phe-Phe-OH;TIPP(psi);tyrosyl-tetrahydroisoquinolinecarbonyl-psi(methylamino)phenylalanyl-phenylalanine

Chemical Property of TIPP-psi

Chemical Property:

• Boiling Point: 911.2±65.0 °C(Predicted)
• PKA: 3.40±0.10(Predicted)
• PSA: 148.48000
• Density: 1.267±0.06 g/cm3(Predicted)
• LogP: 5.09790
• Storage Temp.: −20°C
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 13
• Exact Mass: 620.29987039
• Heavy Atom Count: 46
• Complexity: 975

Purity/Quality:

TIPP-PSI 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(N(CC2=CC=CC=C21)C(=O)C(CC3=CC=C(C=C3)O)N)CNC(CC4=CC=CC=C4)C(=O)NC(CC5=CC=CC=C5)C(=O)O
• Isomeric SMILES: C1[C@H](N(CC2=CC=CC=C21)C(=O)[C@H](CC3=CC=C(C=C3)O)N)CN[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)O

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