TL;DR: L-Lysine, 5-oxo-L-prolyl-L-asparaginyl-L-tryptophyl-N6-(1-oxooctyl)- (CAS 1026276-22-1) is a chemical compound with molecular formula C34H49N7O8 and molecular weight 683.36426 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-[[(2S)-2-[[(2S)-4-amino-4-oxo-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-6-(octanoylamino)hexanoic acid
Also Known As: L-Lysine, 5-oxo-L-prolyl-L-asparaginyl-L-tryptophyl-N6-(1-oxooctyl)-, (2S)-2-(((2S)-2-(((2S)-4-Amino-4-oxo-2-(((2S)-5-oxopyrrolidine-2-carbonyl)amino)butanoyl)amino)-3-(1H-indol-3-yl)propanoyl)amino)-6-(octanoylamino)hexanoic acid, N6-octanoyl-N2-((S)-5-oxopyrrolidine-2-carbonyl)-L-asparaginyl-L-tryptophyl-L-lysine, (2S)-2-[[(2S)-2-[[(2S)-4-amino-4-oxo-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-6-(octanoylamino)hexanoic acid, T35301
| Molecular Formula | C34H49N7O8 |
| Molecular Weight | 683.36426 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 242.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 22 |
| Exact Mass | 683.36426 Da |
| Heavy Atoms | 49 |
| Complexity | 1170.0 |
| SMILES | CCCCCCCC(=O)NCCCC[C@@H](C(=O)O)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CC(=O)N)NC(=O)[C@@H]3CCC(=O)N3 |
| InChIKey | RFDMQNKNNCOSFL-FWEHEUNISA-N |
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for L-Lysine, 5-oxo-L-prolyl-L-asparaginyl-L-tryptophyl-N6-(1-oxooctyl)-. The TPSA of 242.0 Ų indicates high polarity, suggesting L-Lysine, 5-oxo-L-prolyl-L-asparaginyl-L-tryptophyl-N6-(1-oxooctyl)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, L-Lysine, 5-oxo-L-prolyl-L-asparaginyl-L-tryptophyl-N6-(1-oxooctyl)- has 8 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of L-Lysine, 5-oxo-L-prolyl-L-asparaginyl-L-tryptophyl-N6-(1-oxooctyl)- is 1026276-22-1.
The molecular formula of L-Lysine, 5-oxo-L-prolyl-L-asparaginyl-L-tryptophyl-N6-(1-oxooctyl)- is C34H49N7O8.
The molecular weight of L-Lysine, 5-oxo-L-prolyl-L-asparaginyl-L-tryptophyl-N6-(1-oxooctyl)- is 683.36426 g/mol.
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