cyclo(L-valyl-glycyl-glycyl-L-prolyl)3
TL;DR: cyclo(L-valyl-glycyl-glycyl-L-prolyl)3 (CAS 5409-81-4) is a chemical compound with molecular formula C42H66N12O12 and molecular weight 930.49 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-1-[(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylbutanoyl]-N-[2-[[2-[[(2S)-1-[(2S)-2-[[2-[[2-[[(2S)-1-[(2S)-2-formylpyrrolidin-1-yl]-3-methyl-1-oxobut-3-en-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]pyrrolidine-2-carboxamide
Also Known As: Cyclo(L-val-gly-gly-L-pro)3, Cyclo(L-valyl-glycyl-glycyl-L-prolyl)3, Cyclic(glycylglycyl-L-valyl-L-prolylglycylglycyl-L-valyl-L-prolylglycylglycyl-L-valyl-L-prolyl), glycylglycyl-l-valyl-l-prolylglycylglycyl-l-valyl-l-prolylglycyl-n-{(2s)-1-[(2s)-2-formylpyrrolidin-1-yl]-3-methyl-1-oxobut-3-en-2-yl}glycinamide, (2S)-1-[(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylbutanoyl]-N-[2-[[2-[[(2S)-1-[(2S)-2-[[2-[[2-[[(2S)-1-[(2S)-2-formylpyrrolidin-1-yl]-3-methyl-1-oxobut-3-en-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]pyrrolidine-2-carboxamide
| Molecular Formula | C42H66N12O12 |
|---|---|
| Molecular Weight | 930.49 g/mol |
| LogP | -2.1 |
| Topological Polar Surface Area | 337.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 23 |
| Exact Mass | 930.4923 |
| Heavy Atoms | 66 |
| Complexity | 1880.0 |
Chemical Identifiers
| CAS Number | 5409-81-4 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)NCC(=O)NCC(=O)N[C@@H](C(=C)C)C(=O)N3CCC[C@H]3C=O)NC(=O)CNC(=O)CN |
| InChIKey | WWEOVNXEIMNLNE-DIXWMBMLSA-N |
Product Overview
cyclo(L-valyl-glycyl-glycyl-L-prolyl)3 (CAS 5409-81-4), with molecular formula C42H66N12O12 and molecular weight 930.49 g/mol. IUPAC: (2S)-1-[(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylbutanoyl]-N-[2-[[2-[[(2S)-1-[(2S)-2-[[2-[[2-[[(2S)-1-[(2S)-2-formylpyrrolidin-1-yl]-3-methyl-1-oxobut-3-en-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]pyrrolidine-2-carboxamide.
Chemical Property Profile of cyclo(L-valyl-glycyl-glycyl-L-prolyl)3
Property Insights of cyclo(L-valyl-glycyl-glycyl-L-prolyl)3
The XLogP value of -2.1 indicates that cyclo(L-valyl-glycyl-glycyl-L-prolyl)3 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 337.0 Ų indicates high polarity, suggesting cyclo(L-valyl-glycyl-glycyl-L-prolyl)3 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, cyclo(L-valyl-glycyl-glycyl-L-prolyl)3 has 9 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of cyclo(L-valyl-glycyl-glycyl-L-prolyl)3?
The CAS number of cyclo(L-valyl-glycyl-glycyl-L-prolyl)3 is 5409-81-4.
What is the molecular formula of cyclo(L-valyl-glycyl-glycyl-L-prolyl)3?
The molecular formula of cyclo(L-valyl-glycyl-glycyl-L-prolyl)3 is C42H66N12O12.
What is the molecular weight of cyclo(L-valyl-glycyl-glycyl-L-prolyl)3?
The molecular weight of cyclo(L-valyl-glycyl-glycyl-L-prolyl)3 is 930.49 g/mol.
Where can I buy cyclo(L-valyl-glycyl-glycyl-L-prolyl)3?
You can request a quote for cyclo(L-valyl-glycyl-glycyl-L-prolyl)3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for cyclo(L-valyl-glycyl-glycyl-L-prolyl)3?
Yes, KEHONG BIO provides custom synthesis services for cyclo(L-valyl-glycyl-glycyl-L-prolyl)3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.