TL;DR: nostopeptin A (CAS 157744-21-3) is a chemical compound with molecular formula C48H74N8O12 and molecular weight 954.5426 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(butanoylamino)-5-[14,20-di(butan-2-yl)-22-hydroxy-17-[(4-hydroxyphenyl)methyl]-10,18-dimethyl-4-(2-methylpropyl)-3,6,13,16,19,25-hexaoxo-12-oxa-2,5,8,15,18,21-hexazatricyclo[19.3.1.07,11]pentacosan-8-yl]-5-oxopentanamide
Also Known As: nostopeptin A
| Molecular Formula | C48H74N8O12 |
| Molecular Weight | 954.5426 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 287.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 15 |
| Exact Mass | 954.5426 Da |
| Heavy Atoms | 68 |
| Complexity | 1820.0 |
| SMILES | CCCC(=O)NC(CCC(=O)N)C(=O)N1CC(C2C1C(=O)NC(C(=O)NC3CCC(N(C3=O)C(C(=O)N(C(C(=O)NC(C(=O)O2)C(C)CC)CC4=CC=C(C=C4)O)C)C(C)CC)O)CC(C)C)C |
| InChIKey | KKMAWFNZQASNQS-UHFFFAOYSA-N |
The XLogP value of 3.4 indicates that nostopeptin A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 287.0 Ų indicates high polarity, suggesting nostopeptin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, nostopeptin A has 7 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of nostopeptin A is 157744-21-3.
The molecular formula of nostopeptin A is C48H74N8O12.
The molecular weight of nostopeptin A is 954.5426 g/mol.
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