Butyloxycarbonyl-4-methylene-glutamyl-glutamyl-valine
TL;DR: Butyloxycarbonyl-4-methylene-glutamyl-glutamyl-valine (CAS 95049-79-9) is a chemical compound with molecular formula C21H33N3O10 and molecular weight 487.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4S)-5-[[(2S)-4-carboxy-1-[[(1R)-1-carboxy-2-methylpropyl]amino]-1-oxobutan-2-yl]amino]-2-methylidene-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
Also Known As: Boc-meglu-glu-val, Butyloxycarbonyl-4-methylene-glutamyl-glutamyl-valine, (4S)-5-[[(2S)-4-carboxy-1-[[(1R)-1-carboxy-2-methylpropyl]amino]-1-oxobutan-2-yl]amino]-2-methylidene-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid, (4S)-5-[[(2S)-5-hydroxy-1-[[(2R)-1-hydroxy-3-methyl-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-2-methylidene-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid, L-Valine, N-(N-(N-((1,1-dimethylethoxy)carbonyl)-4-methylene-L-alpha-glutamyl)-alpha-glutamyl)-
| Molecular Formula | C21H33N3O10 |
|---|---|
| Molecular Weight | 487.22 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 208.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 15 |
| Exact Mass | 487.21658 |
| Heavy Atoms | 34 |
| Complexity | 816.0 |
Chemical Identifiers
| CAS Number | 95049-79-9 |
|---|---|
| SMILES | CC(C)[C@H](C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=C)C(=O)O)NC(=O)OC(C)(C)C |
| InChIKey | VCUNMGPIYYXXMQ-KCQAQPDRSA-N |
Product Overview
Butyloxycarbonyl-4-methylene-glutamyl-glutamyl-valine (CAS 95049-79-9), with molecular formula C21H33N3O10 and molecular weight 487.22 g/mol. IUPAC: (4S)-5-[[(2S)-4-carboxy-1-[[(1R)-1-carboxy-2-methylpropyl]amino]-1-oxobutan-2-yl]amino]-2-methylidene-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid.
Chemical Property Profile of Butyloxycarbonyl-4-methylene-glutamyl-glutamyl-valine
Property Insights of Butyloxycarbonyl-4-methylene-glutamyl-glutamyl-valine
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyloxycarbonyl-4-methylene-glutamyl-glutamyl-valine. The TPSA of 208.0 Ų indicates high polarity, suggesting Butyloxycarbonyl-4-methylene-glutamyl-glutamyl-valine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Butyloxycarbonyl-4-methylene-glutamyl-glutamyl-valine has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Butyloxycarbonyl-4-methylene-glutamyl-glutamyl-valine?
The CAS number of Butyloxycarbonyl-4-methylene-glutamyl-glutamyl-valine is 95049-79-9.
What is the molecular formula of Butyloxycarbonyl-4-methylene-glutamyl-glutamyl-valine?
The molecular formula of Butyloxycarbonyl-4-methylene-glutamyl-glutamyl-valine is C21H33N3O10.
What is the molecular weight of Butyloxycarbonyl-4-methylene-glutamyl-glutamyl-valine?
The molecular weight of Butyloxycarbonyl-4-methylene-glutamyl-glutamyl-valine is 487.22 g/mol.
Where can I buy Butyloxycarbonyl-4-methylene-glutamyl-glutamyl-valine?
You can request a quote for Butyloxycarbonyl-4-methylene-glutamyl-glutamyl-valine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyloxycarbonyl-4-methylene-glutamyl-glutamyl-valine?
Yes, KEHONG BIO provides custom synthesis services for Butyloxycarbonyl-4-methylene-glutamyl-glutamyl-valine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.