TL;DR: Glycine, N-(N-L-gamma-glutamyl-3-(((4-methoxy-3-methyl-1-(5-(trifluoromethyl)-1H-benzimidazol-2-yl)pyridinium-2-yl)methyl)dithio)-L-alanyl)-, chloride (CAS 124486-08-4) is a chemical compound with molecular formula C26H30ClF3N6O7S2 and molecular weight 694.1258 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-[[4-methoxy-3-methyl-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-1-ium-2-yl]methyldisulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid chloride
Also Known As: Glycine, N-(N-L-gamma-glutamyl-3-(((4-methoxy-3-methyl-1-(5-(trifluoromethyl)-1H-benzimidazol-2-yl)pyridinium-2-yl)methyl)dithio)-L-alanyl)-, chloride, (2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-[[4-methoxy-3-methyl-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-1-ium-2-yl]methyldisulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid chloride
| Molecular Formula | C26H30ClF3N6O7S2 |
| Molecular Weight | 694.1258 g/mol |
| XLogP | -1.06148 |
| Topological Polar Surface Area (TPSA) | 251.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 15 |
| Exact Mass | 694.1258 Da |
| Heavy Atoms | 45 |
| Complexity | 1020.0 |
| SMILES | CC1=C(C=C[N+](=C1CSSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)C2=NC3=C(N2)C=C(C=C3)C(F)(F)F)OC.[Cl-] |
| InChIKey | JHTVZNDGZZPQGC-NKGQWRHHSA-N |
The XLogP value of -1.06148 indicates that Glycine, N-(N-L-gamma-glutamyl-3-(((4-methoxy-3-methyl-1-(5-(trifluoromethyl)-1H-benzimidazol-2-yl)pyridinium-2-yl)methyl)dithio)-L-alanyl)-, chloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 251.0 Ų indicates high polarity, suggesting Glycine, N-(N-L-gamma-glutamyl-3-(((4-methoxy-3-methyl-1-(5-(trifluoromethyl)-1H-benzimidazol-2-yl)pyridinium-2-yl)methyl)dithio)-L-alanyl)-, chloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Glycine, N-(N-L-gamma-glutamyl-3-(((4-methoxy-3-methyl-1-(5-(trifluoromethyl)-1H-benzimidazol-2-yl)pyridinium-2-yl)methyl)dithio)-L-alanyl)-, chloride has 6 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Glycine, N-(N-L-gamma-glutamyl-3-(((4-methoxy-3-methyl-1-(5-(trifluoromethyl)-1H-benzimidazol-2-yl)pyridinium-2-yl)methyl)dithio)-L-alanyl)-, chloride is 124486-08-4.
The molecular formula of Glycine, N-(N-L-gamma-glutamyl-3-(((4-methoxy-3-methyl-1-(5-(trifluoromethyl)-1H-benzimidazol-2-yl)pyridinium-2-yl)methyl)dithio)-L-alanyl)-, chloride is C26H30ClF3N6O7S2.
The molecular weight of Glycine, N-(N-L-gamma-glutamyl-3-(((4-methoxy-3-methyl-1-(5-(trifluoromethyl)-1H-benzimidazol-2-yl)pyridinium-2-yl)methyl)dithio)-L-alanyl)-, chloride is 694.1258 g/mol.
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