TL;DR: L-Alanine, L-alanyl-L-valylglycyl-L-isoleucylglycyl- (CAS 129426-47-7) is a chemical compound with molecular formula C21H38N6O7 and molecular weight 486.2802 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-[[2-[[(2S,3S)-2-[[2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]acetyl]amino]propanoic acid
Also Known As: AVGIGA, HIV (gp41) Fragment, H-AVGIGA-OH, N-terminal of gp41 of HIV-1-BH10, NH2-Ala-Val-Gly-Ile-Gly-Ala-COOH
| Molecular Formula | C21H38N6O7 |
| Molecular Weight | 486.2802 g/mol |
| XLogP | -4.5 |
| Topological Polar Surface Area (TPSA) | 209.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 14 |
| Exact Mass | 486.2802 Da |
| Heavy Atoms | 34 |
| Complexity | 758.0 |
| SMILES | CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](C)C(=O)O)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](C)N |
| InChIKey | KAOCRFBKEXNERP-HLNSEHPISA-N |
The XLogP value of -4.5 indicates that L-Alanine, L-alanyl-L-valylglycyl-L-isoleucylglycyl- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 209.0 Ų indicates high polarity, suggesting L-Alanine, L-alanyl-L-valylglycyl-L-isoleucylglycyl- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, L-Alanine, L-alanyl-L-valylglycyl-L-isoleucylglycyl- has 7 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of L-Alanine, L-alanyl-L-valylglycyl-L-isoleucylglycyl- is 129426-47-7.
The molecular formula of L-Alanine, L-alanyl-L-valylglycyl-L-isoleucylglycyl- is C21H38N6O7.
The molecular weight of L-Alanine, L-alanyl-L-valylglycyl-L-isoleucylglycyl- is 486.2802 g/mol.
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