TL;DR: Naja mossambica mossambica alpha-neurotoxin I (CAS 115722-23-1) is a chemical compound with molecular formula C48H70N10O7 and molecular weight 898.5429 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-1-[(2S)-1-[(2S,3S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]-N-[(2S)-1-[[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide
Also Known As: Cardiotoxin Analog (CTX) IV (6-12), Naja mossambica mossambica alpha-neurotoxin I, Cardiotoxin Analog (CTX) IV 6-12, CTX IV (6-12), Cardiotoxin Analog CTX IV 6-12
| Molecular Formula | C48H70N10O7 |
| Molecular Weight | 898.5429 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 268.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 23 |
| Exact Mass | 898.5429 Da |
| Heavy Atoms | 65 |
| Complexity | 1630.0 |
| SMILES | CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)[C@H](CC(C)C)N |
| InChIKey | IVORLIHJCUSAQL-USNVFINLSA-N |
The XLogP value of 3.4 indicates that Naja mossambica mossambica alpha-neurotoxin I is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 268.0 Ų indicates high polarity, suggesting Naja mossambica mossambica alpha-neurotoxin I may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Naja mossambica mossambica alpha-neurotoxin I has 8 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Naja mossambica mossambica alpha-neurotoxin I is 115722-23-1.
The molecular formula of Naja mossambica mossambica alpha-neurotoxin I is C48H70N10O7.
The molecular weight of Naja mossambica mossambica alpha-neurotoxin I is 898.5429 g/mol.
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