C54H85N13O15S
TL;DR: C54H85N13O15S (CAS 69-25-0) is a chemical compound with molecular formula C54H85N13O15S and molecular weight 1187.60 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[6-amino-2-[[3-hydroxy-2-[[1-(5-oxopyrrolidine-2-carbonyl)pyrrolidine-2-carbonyl]amino]propanoyl]amino]hexanoyl]amino]-4-[[1-[[1-[[1-[[2-[[1-[(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
Also Known As: ELEDOISIN, Eledoisinum, Eledoisin Acetate, Eledone peptide, Eledoisina
| Molecular Formula | C54H85N13O15S |
|---|---|
| Molecular Weight | 1187.60 g/mol |
| LogP | -3.6 |
| Topological Polar Surface Area | 463.0 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 36 |
| Exact Mass | 1187.6008 |
| Heavy Atoms | 83 |
| Complexity | 2270.0 |
Chemical Identifiers
| CAS Number | 69-25-0 |
|---|---|
| SMILES | CCC(C)C(C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(CCSC)C(=O)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(C)NC(=O)C(CC(=O)O)NC(=O)C(CCCCN)NC(=O)C(CO)NC(=O)C2CCCN2C(=O)C3CCC(=O)N3 |
| InChIKey | AYLPVIWBPZMVSH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
C54H85N13O15S (CAS 69-25-0), with molecular formula C54H85N13O15S and molecular weight 1187.60 g/mol. IUPAC: 3-[[6-amino-2-[[3-hydroxy-2-[[1-(5-oxopyrrolidine-2-carbonyl)pyrrolidine-2-carbonyl]amino]propanoyl]amino]hexanoyl]amino]-4-[[1-[[1-[[1-[[2-[[1-[(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid.
Chemical Property Profile of C54H85N13O15S
Property Insights of C54H85N13O15S
The XLogP value of -3.6 indicates that C54H85N13O15S is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 463.0 Ų indicates high polarity, suggesting C54H85N13O15S may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C54H85N13O15S has 14 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C54H85N13O15S?
The CAS number of C54H85N13O15S is 69-25-0.
What is the molecular formula of C54H85N13O15S?
The molecular formula of C54H85N13O15S is C54H85N13O15S.
What is the molecular weight of C54H85N13O15S?
The molecular weight of C54H85N13O15S is 1187.60 g/mol.
Where can I buy C54H85N13O15S?
You can request a quote for C54H85N13O15S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C54H85N13O15S?
Yes, KEHONG BIO provides custom synthesis services for C54H85N13O15S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.