Bacitracin F, 1-(N-((2-(1-amino-2-methylbutyl)-4,5-dihydro-4-thiazolyl)carbonyl)-L-leucine)-

Base Information

• Chemical Name: Bacitracin F, 1-(N-((2-(1-amino-2-methylbutyl)-4,5-dihydro-4-thiazolyl)carbonyl)-L-leucine)-
• CAS No.: 22601-59-8
• Molecular Formula: C₆₆H₁₀₃N₁₇O₁₆S
• Molecular Weight: 1422.71
• European Community (EC) Number: 245-115-9
• NCI Thesaurus Code: C76238
• ChEMBL ID: CHEMBL1868381
• Mol file: 22601-59-8.mol

Synonyms:Baciguent;MLS002695992;SMR001562136;Fortracin;Bacitracin A;Solu-Tracin 50;C66H103N17O16S;EINECS 245-115-9;NSC 45737;C66-H103-N17-O16-S;Prestwick1_000919;Prestwick2_000919;Prestwick3_000919;BSPBio_000798;SPBio_002987;BPBio1_000878;CHEMBL1868381;BDBM83715;CHEBI:94347;cid_6714010;HMS1570H20;HMS2097H20;HMS3714H20;22601-59-8;Bacitracin F, 1-(N-((2-(1-amino-2-methylbutyl)-4,5-dihydro-4-thiazolyl)carbonyl)-L-leucine)-;Bacitracin F, 1-[N-[[2-(1-amino-2-methylbutyl)-4,5-dihydro-4-thiazolyl]carbonyl]-L-leucine]-;CCG-220919;NCGC00094594-08;NCGC00094594-12;NCGC00094594-13;NCGC00094594-14;AB00513964;Bacitracin, from Bacillus licheniformis, >=50,000 U/g;Bacitracin, United States Pharmacopeia (USP) Reference Standard;Bacitracin, from Bacillus licheniformis, >=60000 U/g (Potency);Bacitracin, Pharmaceutical Secondary Standard;Certified Reference Material

Chemical Property of Bacitracin F, 1-(N-((2-(1-amino-2-methylbutyl)-4,5-dihydro-4-thiazolyl)carbonyl)-L-leucine)-

Chemical Property:

• Boiling Point: 1755.5 °C at 760 mmHg
• PKA: 4.01±0.10(Predicted)
• Flash Point: 1015.5 °C
• PSA: 556.17000
• Density: 1.43 g/cm³
• LogP: 3.72410
• Storage Temp.: 2-8°C
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: -4.1
• Hydrogen Bond Donor Count: 17
• Hydrogen Bond Acceptor Count: 21
• Rotatable Bond Count: 31
• Exact Mass: 1421.74894144
• Heavy Atom Count: 100
• Complexity: 2850

Purity/Quality:

99% ^*data from raw suppliers

BacitracinA(TechnicalGrade) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCCCCC(C(=O)NC(C(=O)N1)CCCN)NC(=O)C(C(C)CC)NC(=O)C(CCC(=O)O)NC(=O)C(CC(C)C)NC(=O)C2CSC(=N2)C(C(C)CC)N)CC(=O)N)CC(=O)O)CC3=CN=CN3)CC4=CC=CC=C4
• Isomeric SMILES: CC[C@H](C)[C@H]1C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)NCCCC[C@@H](C(=O)N[C@@H](C(=O)N1)CCCN)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)C2CSC(=N2)C(C(C)CC)N)CC(=O)N)CC(=O)O)CC3=CN=CN3)CC4=CC=CC=C4
• Uses: Bacitracin A is a peptide antibiotic.