CAS 51798-45-9: Elastatinal
Description:Elastatinal is a chemical compound classified as a cyclic peptide, specifically a member of the elastase inhibitors. It is derived from natural sources, particularly from certain species of fungi. The compound exhibits notable biological activity, primarily as an inhibitor of elastase, an enzyme that breaks down elastin, a key protein in connective tissues. This inhibition can have implications in various physiological processes and potential therapeutic applications, particularly in conditions characterized by excessive elastase activity, such as chronic obstructive pulmonary disease (COPD) and certain inflammatory disorders. Elastatinal is characterized by its unique cyclic structure, which contributes to its stability and specificity in binding to elastase. Additionally, it has been studied for its potential role in drug development due to its ability to modulate proteolytic activity. As with many bioactive compounds, further research is necessary to fully understand its mechanisms of action, pharmacokinetics, and potential side effects in clinical settings.
Formula:C21H36N8O7
InChI:InChI=1S/C21H36N8O7/c1-10(2)8-14(19(34)35)28-21(36)29-16(12-6-7-24-20(23)27-12)18(33)26-13(4-5-15(22)31)17(32)25-11(3)9-30/h9-14,16H,4-8H2,1-3H3,(H2,22,31)(H,25,32)(H,26,33)(H,34,35)(H3,23,24,27)(H2,28,29,36)/t11-,12-,13-,14-,16-/m0/s1
InChI key:InChIKey=IJWCGVPEDDQUDE-YGJAXBLXSA-N
SMILES:O=CC(NC(=O)C(NC(=O)C(NC(=O)NC(C(=O)O)CC(C)C)C1NC(=NCC1)N)CCC(=O)N)C
- Synonyms:
- (2S)-2-[(4S)-2-Amino-3,4,5,6-tetrahydro-4-pyrimidinyl]-N-[[[(1S)-1-carboxy-3-methylbutyl]amino]carbonyl]glycyl-N<sup>1</sup>-[(1S)-1-methyl-2-oxoethyl]-<span class="text-smallcaps">L</span>-glutamamide
- (2S,6S,9S,12S)-9-(3-amino-3-oxopropyl)-6-[(4S)-2-amino-3,4,5,6-tetrahydropyrimidin-4-yl]-12-methyl-2-(2-methylpropyl)-4,7,10,13-tetraoxo-3,5,8,11-tetraazatridecan-1-oic acid (non-preferred name)
- (2S,9S)-9-(3-amino-3-oxopropyl)-6-(2-amino-3,4,5,6-tetrahydropyrimidin-4-yl)-12-methyl-2-(2-methylpropyl)-4,7,10,13-tetraoxo-3,5,8,11-tetraazatridecan-1-oic acid (non-preferred name)
- 9-(3-Amino-3-Oxopropyl)-6-(2-Amino-3,4,5,6-Tetrahydropyrimidin-4-Yl)-12-Methyl-2-(2-Methylpropyl)-4,7,10,13-Tetraoxo-3,5,8,11-Tetraazatridecan-1-Oic Acid (Non-Preferred Name)
- <span class="text-smallcaps">L</smallcap>-Glutamamide, <smallcap>L</span>-2-(2-amino-1,4,5,6-tetrahydro-4-pyrimidinyl)-N-[[(1-carboxy-3-methylbutyl)amino]carbonyl]glycyl-N<sup>1</sup>-(1-methyl-2-oxoethyl)-, stereoisomer
- <span class="text-smallcaps">L</span>-Glutamamide, (2S)-2-[(4S)-2-amino-1,4,5,6-tetrahydro-4-pyrimidinyl]-N-[[[(1S)-1-carboxy-3-methylbutyl]amino]carbonyl]glycyl-N<sup>1</sup>-[(1S)-1-methyl-2-oxoethyl]-
- <span class="text-smallcaps">L</span>-Glutamamide, (2S)-2-[(4S)-2-amino-3,4,5,6-tetrahydro-4-pyrimidinyl]-N-[[[(1S)-1-carboxy-3-methylbutyl]amino]carbonyl]glycyl-N<sup>1</sup>-[(1S)-1-methyl-2-oxoethyl]-
- Elastatinal
- N~2~-[(2S)-2-[(4S)-2-amino-3,4,5,6-tetrahydropyrimidin-4-yl]-2-({[(2S)-4-methyl-1-oxopentan-2-yl]carbamoyl}amino)acetyl]-N~1~-[(2S)-1-oxopropan-2-yl]-L-glutamamide
- L-Glutamamide, (2S)-2-[(4S)-2-amino-1,4,5,6-tetrahydro-4-pyrimidinyl]-N-[[[(1S)-1-carboxy-3-methylbutyl]amino]carbonyl]glycyl-N1-[(1S)-1-methyl-2-oxoethyl]-
- See more synonyms
- L-Glutamamide, (2S)-2-[(4S)-2-amino-3,4,5,6-tetrahydro-4-pyrimidinyl]-N-[[[(1S)-1-carboxy-3-methylbutyl]amino]carbonyl]glycyl-N1-[(1S)-1-methyl-2-oxoethyl]-
- L-Glutamamide, L-2-(2-amino-1,4,5,6-tetrahydro-4-pyrimidinyl)-N-[[(1-carboxy-3-methylbutyl)amino]carbonyl]glycyl-N1-(1-methyl-2-oxoethyl)-, stereoisomer
- (2S)-2-[(4S)-2-Amino-3,4,5,6-tetrahydro-4-pyrimidinyl]-N-[[[(1S)-1-carboxy-3-methylbutyl]amino]carbonyl]glycyl-N1-[(1S)-1-methyl-2-oxoethyl]-L-glutamamide
