BOCVV-deCOOHF-P(O)(OH)-deNH2F-VVNH2
TL;DR: BOCVV-deCOOHF-P(O)(OH)-deNH2F-VVNH2 (CAS 129318-25-8) is a chemical compound with molecular formula C43H67N6O9P and molecular weight 842.4707 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3-[[(2S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-benzyl-3-oxopropyl]-[1-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanoyl]amino]-2-phenylethyl]phosphinic acid
Also Known As: BOCVV-deCOOHF-P(O)(OH)-deNH2F-VVNH2, tert-ButyloxycarbonylValVal-decarboxyPhe-phosphinicodiyl-deaminoPhe-Val-Valineamide, L-Valinamide, N-(2-(((1-((N-(N-((1,1-dimethylethoxy)carbonyl)-L-valyl)-L-valyl)amino)-2-phenylethyl)hydroxyphosphinyl)methyl)-1-oxo-3-phenylpropyl)-L-valyl-, (6S,9S,18S,21S)-12,15-Dibenzyl-4,7,10,13,16,19-hexahydroxy-2,2-dimethyl-13-oxo-6,9,18,21-tetra(propan-2-yl)-3-oxa-5,8,11,17,20-pentaaza-13lambda~5~-phosphadocosa-4,7,10,16,19-pentaen-22-imidic acid, [2-benzyl-3-[[(1S)-1-[[(1S)-1-carbamoyl-2-methyl-propyl]carbamoyl]-2-methyl-propyl]amino]-3-oxo-propyl]-[1-[[(2S)-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]-2-phenyl-ethyl]phosphinic acid
Technical Specifications
| Molecular Formula | C43H67N6O9P |
| Molecular Weight | 842.4707 g/mol |
| XLogP | 5.4 |
| Topological Polar Surface Area (TPSA) | 235.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 23 |
| Exact Mass | 842.4707 Da |
| Heavy Atoms | 59 |
| Complexity | 1450.0 |
| SMILES | CC(C)[C@@H](C(=O)N)NC(=O)[C@H](C(C)C)NC(=O)C(CC1=CC=CC=C1)CP(=O)(C(CC2=CC=CC=C2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)OC(C)(C)C)O |
| InChIKey | FRDXWSPCQJVMNT-QNTZKYAPSA-N |
Chemical Property Profile of BOCVV-deCOOHF-P(O)(OH)-deNH2F-VVNH2
Property Insights of BOCVV-deCOOHF-P(O)(OH)-deNH2F-VVNH2
The XLogP value of 5.4 indicates that BOCVV-deCOOHF-P(O)(OH)-deNH2F-VVNH2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 235.0 Ų indicates high polarity, suggesting BOCVV-deCOOHF-P(O)(OH)-deNH2F-VVNH2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BOCVV-deCOOHF-P(O)(OH)-deNH2F-VVNH2 has 7 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of BOCVV-deCOOHF-P(O)(OH)-deNH2F-VVNH2?
The CAS number of BOCVV-deCOOHF-P(O)(OH)-deNH2F-VVNH2 is 129318-25-8.
What is the molecular formula of BOCVV-deCOOHF-P(O)(OH)-deNH2F-VVNH2?
The molecular formula of BOCVV-deCOOHF-P(O)(OH)-deNH2F-VVNH2 is C43H67N6O9P.
What is the molecular weight of BOCVV-deCOOHF-P(O)(OH)-deNH2F-VVNH2?
The molecular weight of BOCVV-deCOOHF-P(O)(OH)-deNH2F-VVNH2 is 842.4707 g/mol.
Where can I buy BOCVV-deCOOHF-P(O)(OH)-deNH2F-VVNH2?
You can request a quote for BOCVV-deCOOHF-P(O)(OH)-deNH2F-VVNH2 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for BOCVV-deCOOHF-P(O)(OH)-deNH2F-VVNH2?
Yes, CoreyChem provides custom synthesis services for BOCVV-deCOOHF-P(O)(OH)-deNH2F-VVNH2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.