TL;DR: Katanosin (CAS 116340-02-4) is a chemical compound with molecular formula C58H97N15O17 and molecular weight 1275.7186 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-amino-N-[1-[[6-(2-amino-1-hydroxy-2-oxoethyl)-15-butan-2-yl-18-[3-(diaminomethylideneamino)propyl]-12-(1-hydroxyethyl)-3-(hydroxymethyl)-24-(1-hydroxy-2-methylpropyl)-21-(2-methylpropyl)-2,5,8,11,14,17,20,23,26-nonaoxo-28-phenyl-1-oxa-4,7,10,13,16,19,22,25-octazacyclooctacos-27-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide
Also Known As: Lysobactin, Katanosin B, Katanosin, Katanosin A, 7-L-isoleucine-, Katanosin A, 7-L-isoleucine-8-L-allothreonine-
| Molecular Formula | C58H97N15O17 |
| Molecular Weight | 1275.7186 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 532.0 Ų |
| Hydrogen Bond Donors | 18 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 23 |
| Exact Mass | 1275.7186 Da |
| Heavy Atoms | 90 |
| Complexity | 2480.0 |
| SMILES | CCC(C)C1C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)OC(C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCN=C(N)N)CC(C)C)C(C(C)C)O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)N)C2=CC=CC=C2)CO)C(C(=O)N)O)C(C)O |
| InChIKey | KQMKBWMQSNKASI-UHFFFAOYSA-N |
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Katanosin. The TPSA of 532.0 Ų indicates high polarity, suggesting Katanosin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Katanosin has 18 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Katanosin is 116340-02-4.
The molecular formula of Katanosin is C58H97N15O17.
The molecular weight of Katanosin is 1275.7186 g/mol.
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