3-[9-(3-Aminopropyl)-3,24,27-tribenzyl-21-(carboxymethyl)-15-[(4-hydroxyphenyl)methyl]-6-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29-decaoxo-12-propan-2-yl-1,4,7,10,13,16,19,22,25,28-decazabicyclo[28.3.0]tritriacontan-18-yl]propanoic acid

Base Information

• Chemical Name: 3-[9-(3-Aminopropyl)-3,24,27-tribenzyl-21-(carboxymethyl)-15-[(4-hydroxyphenyl)methyl]-6-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29-decaoxo-12-propan-2-yl-1,4,7,10,13,16,19,22,25,28-decazabicyclo[28.3.0]tritriacontan-18-yl]propanoic acid
• CAS No.: 1404-88-2
• Molecular Formula: C6H13NO5
• Molecular Weight: 179.17112
• NSC Number: 757363
• Mol file: 1404-88-2.mol

Synonyms:3-[9-(3-Aminopropyl)-3,24,27-tribenzyl-21-(carboxymethyl)-15-[(4-hydroxyphenyl)methyl]-6-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29-decaoxo-12-propan-2-yl-1,4,7,10,13,16,19,22,25,28-decazabicyclo[28.3.0]tritriacontan-18-yl]propanoic acid;NCGC00094807-01;Spectrum_000291;Spectrum3_001091;Spectrum4_001255;Spectrum5_001843;BSPBio_002762;KBioGR_001810;KBioSS_000771;DivK1c_000412;SPECTRUM1500603;BCBcMAP01_000073;HMS501E14;KBio1_000412;KBio2_000771;KBio2_003339;KBio2_005907;KBio3_001982;NINDS_000412;HMS1921I15;HMS2092C06;Pharmakon1600-01500603;NSC757363;NSC-757363;IDI1_000412;QTL1_000088;SMP1_000305;NCGC00094807-02;NCGC00094807-03;SBI-0051551.P002;SR-05000001927;SR-05000001927-1

Chemical Property of 3-[9-(3-Aminopropyl)-3,24,27-tribenzyl-21-(carboxymethyl)-15-[(4-hydroxyphenyl)methyl]-6-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29-decaoxo-12-propan-2-yl-1,4,7,10,13,16,19,22,25,28-decazabicyclo[28.3.0]tritriacontan-18-yl]propanoic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1516.6°Cat760mmHg
• Flash Point: 871°C
• PSA: 379.75000
• Density: 1.32g/cm³
• LogP: 5.10700
• Solubility.: Practically insoluble in water, soluble in ethanol (96 per cent) and in methanol.
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 13
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 19
• Exact Mass: 1271.62266105
• Heavy Atom Count: 92
• Complexity: 2510

Purity/Quality:

98% ^*data from raw suppliers

Tyrothricin European Pharmacopoeia (EP) Reference Standard ^*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: CC(C)CC1C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCN)C(C)C)CC3=CC=C(C=C3)O)CCC(=O)O)CC(=O)O)CC4=CC=CC=C4)CC5=CC=CC=C5)CC6=CC=CC=C6
• Uses: Tyrothricin is a complex of two unrelated peptide families, gramicidin complex and tyrocidines complex, produced by Bacillus brevis and discovered by Dubos in 1939. Typically, tyrothricin is composed of 20% of the linear pentadecylpeptide gramicidins and 80% of cyclic decapeptide tyrocidines. Both the gramicidins and tyrocidines act by disrupting bacterial cell wall integrity, but by differing mechanisms. Tyrothricin is used clinically for bacterial skin infections in some countries.