tert-Butyloxycarbonyl-valyl-benzylseryl-glutaminyl-asparaginyl-(brz)tyrosine
TL;DR: tert-Butyloxycarbonyl-valyl-benzylseryl-glutaminyl-asparaginyl-(brz)tyrosine (CAS 15398-87-5) is a chemical compound with molecular formula C46H58BrN7O14 and molecular weight 1011.3225 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-3-methyl-2-(2-methylpropoxycarbonylamino)butanoyl]amino]-3-phenylmethoxypropanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-3-[4-[(4-bromophenyl)methoxycarbonyloxy]phenyl]propanoic acid
Also Known As: Boc-bgat, Boc-val-ser(bzl)-gln-asn-tyr(brz)OH, tert-Butyloxycarbonyl-valyl-benzylseryl-glutaminyl-asparaginyl-(brz)tyrosine, 2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-3-methyl-2-(2-methylpropoxycarbonylamino)butanoyl]amino]-3-phenylmethoxypropanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-3-[4-[(4-bromophenyl)methoxycarbonyloxy]phenyl]propanoic acid, L-Tyrosine, N-(N2-(N2-(N-(N-((1,1-dimethylethoxy)carbonyl)-L-valyl)-O-(phenylmethyl)-L-seryl)-L-glutaminyl)-L-asparaginyl)-, (4-bromophenyl)methyl carbonate (ester)
Technical Specifications
| Molecular Formula | C46H58BrN7O14 |
| Molecular Weight | 1011.3225 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 323.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 30 |
| Exact Mass | 1011.3225 Da |
| Heavy Atoms | 68 |
| Complexity | 1680.0 |
| SMILES | CC(C)COC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](COCC1=CC=CC=C1)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)NC(CC2=CC=C(C=C2)OC(=O)OCC3=CC=C(C=C3)Br)C(=O)O |
| InChIKey | ROQVHFVDSPTYHV-ZJOZRNNHSA-N |
Chemical Property Profile of tert-Butyloxycarbonyl-valyl-benzylseryl-glutaminyl-asparaginyl-(brz)tyrosine
Property Insights of tert-Butyloxycarbonyl-valyl-benzylseryl-glutaminyl-asparaginyl-(brz)tyrosine
The XLogP value of 3.5 indicates that tert-Butyloxycarbonyl-valyl-benzylseryl-glutaminyl-asparaginyl-(brz)tyrosine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 323.0 Ų indicates high polarity, suggesting tert-Butyloxycarbonyl-valyl-benzylseryl-glutaminyl-asparaginyl-(brz)tyrosine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, tert-Butyloxycarbonyl-valyl-benzylseryl-glutaminyl-asparaginyl-(brz)tyrosine has 8 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of tert-Butyloxycarbonyl-valyl-benzylseryl-glutaminyl-asparaginyl-(brz)tyrosine?
The CAS number of tert-Butyloxycarbonyl-valyl-benzylseryl-glutaminyl-asparaginyl-(brz)tyrosine is 15398-87-5.
What is the molecular formula of tert-Butyloxycarbonyl-valyl-benzylseryl-glutaminyl-asparaginyl-(brz)tyrosine?
The molecular formula of tert-Butyloxycarbonyl-valyl-benzylseryl-glutaminyl-asparaginyl-(brz)tyrosine is C46H58BrN7O14.
What is the molecular weight of tert-Butyloxycarbonyl-valyl-benzylseryl-glutaminyl-asparaginyl-(brz)tyrosine?
The molecular weight of tert-Butyloxycarbonyl-valyl-benzylseryl-glutaminyl-asparaginyl-(brz)tyrosine is 1011.3225 g/mol.
Where can I buy tert-Butyloxycarbonyl-valyl-benzylseryl-glutaminyl-asparaginyl-(brz)tyrosine?
You can request a quote for tert-Butyloxycarbonyl-valyl-benzylseryl-glutaminyl-asparaginyl-(brz)tyrosine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for tert-Butyloxycarbonyl-valyl-benzylseryl-glutaminyl-asparaginyl-(brz)tyrosine?
Yes, CoreyChem provides custom synthesis services for tert-Butyloxycarbonyl-valyl-benzylseryl-glutaminyl-asparaginyl-(brz)tyrosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.