TL;DR: Napsamycin D (CAS 144379-27-1) is a chemical compound with molecular formula C40H52N8O12S and molecular weight 868.3425 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-methyl-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 D
| Molecular Formula | C40H52N8O12S |
| Molecular Weight | 868.3425 g/mol |
| XLogP | -2.3 |
| Topological Polar Surface Area (TPSA) | 314.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 16 |
| Exact Mass | 868.3425 Da |
| Heavy Atoms | 61 |
| Complexity | 1660.0 |
| SMILES | CC1C2=C(CC(N1)C(=O)N(C)C(C)C(C(=O)NC=C3CC(C(O3)N4CCC(=O)NC4=O)O)NC(=O)C(CCSC)NC(=O)NC(CC5=CC(=CC=C5)O)C(=O)O)C=C(C=C2)O |
| InChIKey | AZGANZVUWUCOGH-UHFFFAOYSA-N |
The XLogP value of -2.3 indicates that Napsamycin D 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 D may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Napsamycin D has 10 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Napsamycin D is 144379-27-1.
The molecular formula of Napsamycin D is C40H52N8O12S.
The molecular weight of Napsamycin D is 868.3425 g/mol.
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