TL;DR: Napsamycin C (CAS 144379-26-0) is a chemical compound with molecular formula C39H50N8O12S and molecular weight 854.3269 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[1-[[1-[[5-(2,4-dioxo-1,3-diazinan-1-yl)-4-hydroxyoxolan-2-ylidene]methylamino]-3-[(6-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carbonyl)-methylamino]-1-oxobutan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamoylamino]-3-(3-hydroxyphenyl)propanoic acid
Also Known As: Napsamycin C
| Molecular Formula | C39H50N8O12S |
| Molecular Weight | 854.3269 g/mol |
| XLogP | -2.7 |
| Topological Polar Surface Area (TPSA) | 314.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 16 |
| Exact Mass | 854.3269 Da |
| Heavy Atoms | 60 |
| Complexity | 1620.0 |
| SMILES | CC(C(C(=O)NC=C1CC(C(O1)N2CCC(=O)NC2=O)O)NC(=O)C(CCSC)NC(=O)NC(CC3=CC(=CC=C3)O)C(=O)O)N(C)C(=O)C4CC5=C(CN4)C=CC(=C5)O |
| InChIKey | MFEPAAMYDYMBSN-UHFFFAOYSA-N |
The XLogP value of -2.7 indicates that Napsamycin C is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 314.0 Ų indicates high polarity, suggesting Napsamycin C may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Napsamycin C has 10 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Napsamycin C is 144379-26-0.
The molecular formula of Napsamycin C is C39H50N8O12S.
The molecular weight of Napsamycin C is 854.3269 g/mol.
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