Actinocylbis(threonyl-d-valyl-4'-oxoproline Methyl Ester
TL;DR: Actinocylbis(threonyl-d-valyl-4'-oxoproline Methyl Ester (CAS 66682-49-3) is a chemical compound with molecular formula C46H58N8O16 and molecular weight 978.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-[2-[[2-[[2-amino-9-[[3-hydroxy-1-[[1-(2-methoxycarbonyl-4-oxopyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]carbamoyl]-4,6-dimethyl-3-oxophenoxazine-1-carbonyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]-3-oxopyrrolidine-2-carboxylate
Also Known As: Actinocylbis(threonyl-d-valyl-4'-oxoproline Methyl Ester, L-Proline, 1-(N-(N-((2-amino-9-(((2-hydroxy-1-(((1-((2-(methoxycarbonyl)-4-oxo-1-pyrrolidinyl)carbonyl)-2-methylpropyl)amino)carbonyl)propyl)amino)carbonyl)-4,6-dimethyl-3-oxo-3H-phenoxazin-1-yl)carbonyl)-L-threonyl)-D-valyl)-4-oxo-, methyl ester, stereoisomer, methyl 1-[2-[[2-[[2-amino-9-[[3-hydroxy-1-[[1-(2-methoxycarbonyl-4-oxopyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]carbamoyl]-4,6-dimethyl-3-oxophenoxazine-1-carbonyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]-3-oxopyrrolidine-2-carboxylate
| Molecular Formula | C46H58N8O16 |
|---|---|
| Molecular Weight | 978.40 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 349.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 18 |
| Exact Mass | 978.3971 |
| Heavy Atoms | 70 |
| Complexity | 2310.0 |
Chemical Identifiers
| CAS Number | 66682-49-3 |
|---|---|
| SMILES | CC1=C2C(=C(C=C1)C(=O)NC(C(C)O)C(=O)NC(C(C)C)C(=O)N3CC(=O)CC3C(=O)OC)N=C4C(=C(C(=O)C(=C4O2)C)N)C(=O)NC(C(C)O)C(=O)NC(C(C)C)C(=O)N5CCC(=O)C5C(=O)OC |
| InChIKey | TZAMSDFDCWHDLI-UHFFFAOYSA-N |
Product Overview
Actinocylbis(threonyl-d-valyl-4'-oxoproline Methyl Ester (CAS 66682-49-3), with molecular formula C46H58N8O16 and molecular weight 978.40 g/mol. IUPAC: methyl 1-[2-[[2-[[2-amino-9-[[3-hydroxy-1-[[1-(2-methoxycarbonyl-4-oxopyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]carbamoyl]-4,6-dimethyl-3-oxophenoxazine-1-carbonyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]-3-oxopyrrolidine-2-carboxylate.
Chemical Property Profile of Actinocylbis(threonyl-d-valyl-4'-oxoproline Methyl Ester
Property Insights of Actinocylbis(threonyl-d-valyl-4'-oxoproline Methyl Ester
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Actinocylbis(threonyl-d-valyl-4'-oxoproline Methyl Ester. The TPSA of 349.0 Ų indicates high polarity, suggesting Actinocylbis(threonyl-d-valyl-4'-oxoproline Methyl Ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Actinocylbis(threonyl-d-valyl-4'-oxoproline Methyl Ester has 7 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Actinocylbis(threonyl-d-valyl-4'-oxoproline Methyl Ester?
The CAS number of Actinocylbis(threonyl-d-valyl-4'-oxoproline Methyl Ester is 66682-49-3.
What is the molecular formula of Actinocylbis(threonyl-d-valyl-4'-oxoproline Methyl Ester?
The molecular formula of Actinocylbis(threonyl-d-valyl-4'-oxoproline Methyl Ester is C46H58N8O16.
What is the molecular weight of Actinocylbis(threonyl-d-valyl-4'-oxoproline Methyl Ester?
The molecular weight of Actinocylbis(threonyl-d-valyl-4'-oxoproline Methyl Ester is 978.40 g/mol.
Where can I buy Actinocylbis(threonyl-d-valyl-4'-oxoproline Methyl Ester?
You can request a quote for Actinocylbis(threonyl-d-valyl-4'-oxoproline Methyl Ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Actinocylbis(threonyl-d-valyl-4'-oxoproline Methyl Ester?
Yes, KEHONG BIO provides custom synthesis services for Actinocylbis(threonyl-d-valyl-4'-oxoproline Methyl Ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.