Isovaleryl-valyl-valyl-leucine phosphinate-3-phenyllactic acid methyl ester
TL;DR: Isovaleryl-valyl-valyl-leucine phosphinate-3-phenyllactic acid methyl ester (CAS 128923-36-4) is a chemical compound with molecular formula C30H50N3O8P and molecular weight 611.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]oxy-[(1R)-3-methyl-1-[[(2S)-3-methyl-1-[[(2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]-1-oxobutan-2-yl]amino]butyl]phosphinic acid
Also Known As: Ivavvl(P)(O)fome, Iva-val-val-leu(P)-(O)phe-ome, Isovaleryl-valyl-valyl-leucine phosphinate-3-phenyllactic acid methyl ester, (R-(R*,S*))-N-(3-Methyl-1-oxobutyl)-L-valyl-N-(1-(hydroxy(2-methoxy-2-oxo-1-(phenylmethyl)ethoxy)phosphinyl)-3-methylbutyl)-L-valinamide, [(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]oxy-[(1R)-3-methyl-1-[[(2S)-3-methyl-1-[[(2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]-1-oxobutan-2-yl]amino]butyl]phosphinic acid
| Molecular Formula | C30H50N3O8P |
|---|---|
| Molecular Weight | 611.33 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 160.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 18 |
| Exact Mass | 611.33356 |
| Heavy Atoms | 42 |
| Complexity | 934.0 |
Chemical Identifiers
| CAS Number | 128923-36-4 |
|---|---|
| SMILES | CC(C)C[C@H](N[C@@H](C(C)C)C(=O)NC(=O)[C@H](C(C)C)NC(=O)CC(C)C)P(=O)(O)O[C@@H](CC1=CC=CC=C1)C(=O)OC |
| InChIKey | AQGRRBUUEPSSGI-KMQNXVAFSA-N |
Product Overview
Isovaleryl-valyl-valyl-leucine phosphinate-3-phenyllactic acid methyl ester (CAS 128923-36-4), with molecular formula C30H50N3O8P and molecular weight 611.33 g/mol. IUPAC: [(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]oxy-[(1R)-3-methyl-1-[[(2S)-3-methyl-1-[[(2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]-1-oxobutan-2-yl]amino]butyl]phosphinic acid.
Chemical Property Profile of Isovaleryl-valyl-valyl-leucine phosphinate-3-phenyllactic acid methyl ester
Property Insights of Isovaleryl-valyl-valyl-leucine phosphinate-3-phenyllactic acid methyl ester
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isovaleryl-valyl-valyl-leucine phosphinate-3-phenyllactic acid methyl ester. The TPSA of 160.0 Ų indicates high polarity, suggesting Isovaleryl-valyl-valyl-leucine phosphinate-3-phenyllactic acid methyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Isovaleryl-valyl-valyl-leucine phosphinate-3-phenyllactic acid methyl ester has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isovaleryl-valyl-valyl-leucine phosphinate-3-phenyllactic acid methyl ester?
The CAS number of Isovaleryl-valyl-valyl-leucine phosphinate-3-phenyllactic acid methyl ester is 128923-36-4.
What is the molecular formula of Isovaleryl-valyl-valyl-leucine phosphinate-3-phenyllactic acid methyl ester?
The molecular formula of Isovaleryl-valyl-valyl-leucine phosphinate-3-phenyllactic acid methyl ester is C30H50N3O8P.
What is the molecular weight of Isovaleryl-valyl-valyl-leucine phosphinate-3-phenyllactic acid methyl ester?
The molecular weight of Isovaleryl-valyl-valyl-leucine phosphinate-3-phenyllactic acid methyl ester is 611.33 g/mol.
Where can I buy Isovaleryl-valyl-valyl-leucine phosphinate-3-phenyllactic acid methyl ester?
You can request a quote for Isovaleryl-valyl-valyl-leucine phosphinate-3-phenyllactic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isovaleryl-valyl-valyl-leucine phosphinate-3-phenyllactic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Isovaleryl-valyl-valyl-leucine phosphinate-3-phenyllactic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.