TL;DR: Leucinostatin A succinate (CAS 159544-15-7) is a chemical compound with molecular formula C66H115N11O16 and molecular weight 1317.8523 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[10-[[1-[[1-[[1-[[1-[[1-[[1-[[3-[1-(dimethylamino)propan-2-ylamino]-3-oxopropyl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-3-hydroxy-4-methyl-1-oxopentan-2-yl]amino]-7-methyl-9-[[4-methyl-1-[(E)-4-methylhex-2-enoyl]pyrrolidine-2-carbonyl]amino]-3,10-dioxodecan-5-yl]oxy-4-oxobutanoic acid
Also Known As: Leucinostatin A succinate, Leucinostatin A, 2-(hydrogen butanedioate), 4-[10-[[1-[[1-[[1-[[1-[[1-[[1-[[3-[1-(dimethylamino)propan-2-ylamino]-3-oxopropyl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-3-hydroxy-4-methyl-1-oxopentan-2-yl]amino]-7-methyl-9-[[4-methyl-1-[(E)-4-methylhex-2-enoyl]pyrrolidine-2-carbonyl]amino]-3,10-dioxodecan-5-yl]oxy-4-oxobutanoic acid
| Molecular Formula | C66H115N11O16 |
| Molecular Weight | 1317.8523 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 386.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 42 |
| Exact Mass | 1317.8523 Da |
| Heavy Atoms | 93 |
| Complexity | 2600.0 |
| SMILES | CCC(C)/C=C/C(=O)N1CC(CC1C(=O)NC(CC(C)CC(CC(=O)CC)OC(=O)CCC(=O)O)C(=O)NC(C(C(C)C)O)C(=O)NC(C)(C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCC(=O)NC(C)CN(C)C)C |
| InChIKey | YBCOKVFDCGTBEP-WCWDXBQESA-N |
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Leucinostatin A succinate. The TPSA of 386.0 Ų indicates high polarity, suggesting Leucinostatin A succinate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Leucinostatin A succinate has 11 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Leucinostatin A succinate is 159544-15-7.
The molecular formula of Leucinostatin A succinate is C66H115N11O16.
The molecular weight of Leucinostatin A succinate is 1317.8523 g/mol.
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