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Cyclic peptide antibiotic

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Identification
Molecular formula
C50H83N13O13S
CAS number
1404-90-6
IUPAC name
4-[[2-[[2-(1-amino-2-methyl-butyl)-4,5-dihydrothiazole-4-carbonyl]amino]-4-methyl-pentanoyl]amino]-5-[[1-[4-[20-(2-amino-2-oxo-ethyl)-5-(3-aminopropyl)-11-benzyl-17-(carboxymethyl)-14-(1H-imidazol-5-ylmethyl)-3,6,9,12,15,18,21-heptaoxo-8-sec-butyl-1,4,7,10,13,16,19-heptazacyclohenicos-2-yl]butylcarbamoyl]-2-methyl-butyl]amino]-5-oxo-pentanoic acid
State
State

This compound is typically found in a solid state at room temperature, often stored as a powder.

Melting point (Celsius)
280.00
Melting point (Kelvin)
553.15
Boiling point (Celsius)
500.00
Boiling point (Kelvin)
773.15
General information
Molecular weight
1022.18g/mol
Molar mass
1 022.1790g/mol
Density
1.2500g/cm3
Appearence

This compound appears as a white to off-white powder that is often crystalline in nature.

Comment on solubility

Solubility Characteristics of 4-[[2-[[2-(1-amino-2-methyl-butyl)-4,5-dihydrothiazole-4-carbonyl]amino]-4-methyl-pentanoyl]amino]-5-[[1-[4-[20-(2-amino-2-oxo-ethyl)-5-(3-aminopropyl)-11-benzyl-17-(carboxymethyl)-14-(1H-imidazol-5-ylmethyl)-3,6,9,12,15,18,21-heptaoxo-8-sec-butyl-1,4,7,10,13,16,19-heptazacyclohenicos-2-yl]butylcarbamoyl]-2-methyl-butyl]amino]-5-oxo-pentanoic acid

The solubility of this compound, C50H83N13O13S, can be quite intricate due to its complex molecular structure and functional groups. Here are some important considerations:

  • Hydrophilicity vs. Hydrophobicity: The presence of multiple nitrogen and oxygen atoms suggests it may possess some hydrophilic characteristics, whereas the long carbon chains and bulky groups may impart hydrophobic properties.
  • Polarity: The overall polarity of the molecule can influence its interaction with solvents. Generally, compounds with more polar functional groups tend to be more soluble in polar solvents (like water) compared to less polar solvents.
  • Solvent Compatibility: This compound might show better solubility in polar aprotic solvents, such as dimethyl sulfoxide (DMSO) or dimethylformamide (DMF), rather than in purely aqueous solutions.
  • Temperature Influence: The solubility of such complex compounds can also increase with temperature, but this can vary based on the interactions within the molecule.

As a general observation, compounds of this complexity may face challenges in solubility, making their application in various fields, including pharmaceuticals, a topic of interest for further study. Therefore, understanding their solubility profile can significantly enhance their practical usage and formulation strategies.

Interesting facts

Exploring the Complexity of 4-[[2-[[2-(1-amino-2-methyl-butyl)-4,5-dihydrothiazole-4-carbonyl]amino]-4-methyl-pentanoyl]amino]-5-[[1-[4-[20-(2-amino-2-oxo-ethyl)-5-(3-aminopropyl)-11-benzyl-17-(carboxymethyl)-14-(1H-imidazol-5-ylmethyl)-3,6,9,12,15,18,21-heptaoxo-8-sec-butyl-1,4,7,10,13,16,19-heptazacyclohenicos-2-yl]butylcarbamoyl]-2-methyl-butyl]amino]-5-oxo-pentanoic acid

This compound is a fascinating example of the sheer complexity that can arise in organic chemistry. With its extensive molecular structure and length, it demonstrates the intricate nature of peptide derivatives and their potential applications.

Here are some interesting facts about the compound:

  • Diversity of Functional Groups: The structure showcases a variety of functional groups, such as thiazoles, amino acids, and imidazoles, making it an excellent candidate for studying interactions on a molecular level.
  • Potential Therapeutic Applications: Compounds of this nature often possess biologically active properties, paving the way for their exploration in drug design and development.
  • Role in Drug Discovery: Molecules with complex structures can serve as leads in drug discovery, particularly in targeting specific enzymes or receptors within biological systems.
  • Peptide-Based Design: The incorporation of amino acids into the structure highlights the importance of peptide chemistry in creating compounds with tailored biological activity.

Scientists are continuously researching similar compounds to elucidate their mechanisms of action, whether in isolation or as part of larger systems. The structural complexity not only challenges synthetic chemists but also opens up new pathways for understanding biological processes and developing innovative therapeutic strategies. As a final thought, in the words of a notable chemist, "The beauty of chemistry lies in its complexity and the endless possibilities it presents." This compound is a testament to that statement!

Synonyms
SR-05000001570
Spectrum_001181
Spectrum2_000739
Spectrum3_000309
Spectrum4_001773
Spectrum5_000385
BSPBio_001878
KBioGR_002286
KBioSS_001661
DivK1c_000769
SPECTRUM1500134
SPBio_000698
SCHEMBL17133074
HMS502G11
KBio1_000769
KBio2_001661
KBio2_004229
KBio2_006797
KBio3_001378
NINDS_000769
HMS1920E19
HMS2091K21
CCG-39928
IDI1_000769
NCGC00094594-02
NCGC00094594-03
SBI-0051884.P003
AB00052403_02
SR-05000001570-1
SR-05000001570-2
BRD-A49374018-001-04-1