L-Isoleucine, N-(1-(N-(N6-(N2-((phenylmethoxy)carbonyl)-L-arginyl)-N2-(N-(3-pyridinylcarbonyl)-L-tyrosyl)-L-lysyl)-L-histidyl)-L-prolyl)-

Base Information

• Chemical Name: L-Isoleucine, N-(1-(N-(N6-(N2-((phenylmethoxy)carbonyl)-L-arginyl)-N2-(N-(3-pyridinylcarbonyl)-L-tyrosyl)-L-lysyl)-L-histidyl)-L-prolyl)-
• CAS No.: 127060-75-7
• Molecular Formula: C52H69N13O11
• Molecular Weight: 1052.18
• UNII: 9Q3V7W3XDD
• DSSTox Substance ID: DTXSID90155396
• Nikkaji Number: J343.934H
• Wikidata: Q27075903
• ChEMBL ID: CHEMBL1885579
• Mol file: 127060-75-7.mol

Synonyms:CGP 42112;CGP 42112A;CGP 42112B;CGP-42112;CGP-42112A;CGP42112;CGP42112A;nicotinic acid-Tyr-(N(sigma)-benzyloxycarbonyl-Arg)Lys-His-Pro-Ile-OH;nicotinic acid-tyrosyl-(N(sigma)-benzyloxycarbonyl-arginyl)lysyl-histidyl-prolyl-isoleucine-OH

Chemical Property of L-Isoleucine, N-(1-(N-(N6-(N2-((phenylmethoxy)carbonyl)-L-arginyl)-N2-(N-(3-pyridinylcarbonyl)-L-tyrosyl)-L-lysyl)-L-histidyl)-L-prolyl)-

Chemical Property:

• Appearance/Colour: white solid
• Refractive Index: 1.659
• PSA: 365.14000
• Density: 1.39 g/cm³
• LogP: 4.98920
• Storage Temp.: 2-8°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 11
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 30
• Exact Mass: 1051.52395007
• Heavy Atom Count: 76
• Complexity: 1930

Purity/Quality:

98%,99%, ^*data from raw suppliers

CGP 42112 ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC(C)C(C(=O)O)NC(=O)C1CCCN1C(=O)C(CC2=CN=CN2)NC(=O)C(CCCCNC(=O)C(CCCN=C(N)N)NC(=O)OCC3=CC=CC=C3)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C5=CN=CC=C5
• Isomeric SMILES: CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC2=CN=CN2)NC(=O)[C@H](CCCCNC(=O)[C@H](CCCN=C(N)N)NC(=O)OCC3=CC=CC=C3)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)C5=CN=CC=C5