TL;DR: beta-Neuroprotectin (CAS 127634-29-1) is a chemical compound with molecular formula C37H60N8O10 and molecular weight 776.44324 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S)-4-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[[(2R)-2-aminopropanoyl]amino]-4-oxobutanoic acid
Also Known As: beta-Neuroprotectin, b-Neuroprotectin, A-Neuroprotectin, Ala-asp-leu-ile-ala-tyr-leu-NH2, L-Leucinamide, D-alanyl-L-alpha-aspartyl-L-leucyl-L-isoleucyl-L-alanyl-L-tyrosyl-
| Molecular Formula | C37H60N8O10 |
| Molecular Weight | 776.44324 g/mol |
| XLogP | -0.7 |
| Topological Polar Surface Area (TPSA) | 301.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 23 |
| Exact Mass | 776.44324 Da |
| Heavy Atoms | 55 |
| Complexity | 1340.0 |
| SMILES | CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](C)N |
| InChIKey | OOPCKMOYWNFHCN-ZVTNDOQBSA-N |
The XLogP value of -0.7 indicates that beta-Neuroprotectin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 301.0 Ų indicates high polarity, suggesting beta-Neuroprotectin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, beta-Neuroprotectin has 10 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of beta-Neuroprotectin is 127634-29-1.
The molecular formula of beta-Neuroprotectin is C37H60N8O10.
The molecular weight of beta-Neuroprotectin is 776.44324 g/mol.
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