Bicyclic nona-gugyly
TL;DR: Bicyclic nona-gugyly (CAS 1165-77-1) is a chemical compound with molecular formula C39H62N10O10 and molecular weight 830.47 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4S)-4-[(2-aminoacetyl)amino]-5-[[(2S)-1-[2-[[2-[(5S)-1-[(2S)-2-[[(2S)-2-amino-6-(2-aminoethylamino)hexanoyl]amino]-4-methylpentanoyl]-5-formyl-2H-pyrrol-5-yl]-2-oxoethyl]carbamoyl]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
Also Known As: Bicyclic nona-gugyly, ethyl 2-phenylsulfenyl-2-fluoroacetate, Cyclo(glu-leu-pro-gly-lys-leu-pro-gly)cyclo(1gamma-5epsilon)gly, Cyclo(glutamyl-leucyl-prolyl-glycyl-lysyl-leucyl-prolyl-glycyl)cyclo(1-gamma-5-epsilon)glycine, (4S)-4-[(2-aminoacetyl)amino]-5-[[(2S)-1-[2-[[2-[(5S)-1-[(2S)-2-[[(2S)-2-amino-6-(2-aminoethylamino)hexanoyl]amino]-4-methylpentanoyl]-5-formyl-2H-pyrrol-5-yl]-2-oxoethyl]carbamoyl]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
| Molecular Formula | C39H62N10O10 |
|---|---|
| Molecular Weight | 830.47 g/mol |
| LogP | -3.6 |
| Topological Polar Surface Area | 320.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 27 |
| Exact Mass | 830.465 |
| Heavy Atoms | 59 |
| Complexity | 1520.0 |
Chemical Identifiers
| CAS Number | 1165-77-1 |
|---|---|
| SMILES | CC(C)C[C@@H](C(=O)N1CC=C[C@]1(C=O)C(=O)CNC(=O)C2=CC=CN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)CN)NC(=O)[C@H](CCCCNCCN)N |
| InChIKey | GVAIGECYQGPQCB-KENYIHBBSA-N |
Product Overview
Bicyclic nona-gugyly (CAS 1165-77-1), with molecular formula C39H62N10O10 and molecular weight 830.47 g/mol. IUPAC: (4S)-4-[(2-aminoacetyl)amino]-5-[[(2S)-1-[2-[[2-[(5S)-1-[(2S)-2-[[(2S)-2-amino-6-(2-aminoethylamino)hexanoyl]amino]-4-methylpentanoyl]-5-formyl-2H-pyrrol-5-yl]-2-oxoethyl]carbamoyl]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid.
Chemical Property Profile of Bicyclic nona-gugyly
Property Insights of Bicyclic nona-gugyly
The XLogP value of -3.6 indicates that Bicyclic nona-gugyly is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 320.0 Ų indicates high polarity, suggesting Bicyclic nona-gugyly may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bicyclic nona-gugyly has 9 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bicyclic nona-gugyly?
The CAS number of Bicyclic nona-gugyly is 1165-77-1.
What is the molecular formula of Bicyclic nona-gugyly?
The molecular formula of Bicyclic nona-gugyly is C39H62N10O10.
What is the molecular weight of Bicyclic nona-gugyly?
The molecular weight of Bicyclic nona-gugyly is 830.47 g/mol.
Where can I buy Bicyclic nona-gugyly?
You can request a quote for Bicyclic nona-gugyly directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bicyclic nona-gugyly?
Yes, KEHONG BIO provides custom synthesis services for Bicyclic nona-gugyly and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.