TL;DR: L-Aspartamide, N2-acetyl-L-glutaminyl-N1-(4-((1-(aminocarbonyl)-2-methylpropyl)amino)-2-hydroxy-1-(2-methylpropyl)-4-oxobutyl)-, (1S-(1R*,2R*,4(R*)))- (CAS 133683-32-6) is a chemical compound with molecular formula C24H43N5O8 and molecular weight 529.31116 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4S)-4-acetamido-5-[[(2S)-1-[[(3S,4S)-1-[[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-6-methyl-1-oxoheptan-4-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Also Known As: L-Aspartamide, N2-acetyl-L-glutaminyl-N1-(4-((1-(aminocarbonyl)-2-methylpropyl)amino)-2-hydroxy-1-(2-methylpropyl)-4-oxobutyl)-, (1S-(1R*,2R*,4(R*)))-, (4S)-4-acetamido-5-[[(1S)-2-[[(1S,2S)-4-[[(1S,2S)-1-carbamoyl-2-methyl-butyl]amino]-2-hydroxy-1-isobutyl-4-oxo-butyl]amino]-1-methyl-2-oxo-ethyl]amino]-5-oxo-pentanoic acid, (4S)-4-acetamido-5-[[(2S)-1-[[(3S,4S)-1-[[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-6-methyl-1-oxoheptan-4-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid, L-Aspartamide, N2-acetyl-L-glutaminyl-N1-[4-[[1-(aminocarbonyl)-2-methylpropyl]amino]-2-hydroxy-1-(2-methylpropyl)-4-oxobutyl]-, [1S-[1R*,2R*,4(R*)]]-, N-Acetyl-L-alpha-glutamyl-N-[(3S,4S)-1-{[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]amino}-3-hydroxy-6-methyl-1-oxoheptan-4-yl]-L-alaninamide
| Molecular Formula | C24H43N5O8 |
| Molecular Weight | 529.31116 g/mol |
| XLogP | -0.4 |
| Topological Polar Surface Area (TPSA) | 217.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 17 |
| Exact Mass | 529.31116 Da |
| Heavy Atoms | 37 |
| Complexity | 819.0 |
| SMILES | CC[C@H](C)[C@@H](C(=O)N)NC(=O)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)C)O |
| InChIKey | VGOMTEQGVURNJE-LVLNSQHKSA-N |
The XLogP value of -0.4 indicates that L-Aspartamide, N2-acetyl-L-glutaminyl-N1-(4-((1-(aminocarbonyl)-2-methylpropyl)amino)-2-hydroxy-1-(2-methylpropyl)-4-oxobutyl)-, (1S-(1R*,2R*,4(R*)))- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 217.0 Ų indicates high polarity, suggesting L-Aspartamide, N2-acetyl-L-glutaminyl-N1-(4-((1-(aminocarbonyl)-2-methylpropyl)amino)-2-hydroxy-1-(2-methylpropyl)-4-oxobutyl)-, (1S-(1R*,2R*,4(R*)))- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, L-Aspartamide, N2-acetyl-L-glutaminyl-N1-(4-((1-(aminocarbonyl)-2-methylpropyl)amino)-2-hydroxy-1-(2-methylpropyl)-4-oxobutyl)-, (1S-(1R*,2R*,4(R*)))- has 7 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of L-Aspartamide, N2-acetyl-L-glutaminyl-N1-(4-((1-(aminocarbonyl)-2-methylpropyl)amino)-2-hydroxy-1-(2-methylpropyl)-4-oxobutyl)-, (1S-(1R*,2R*,4(R*)))- is 133683-32-6.
The molecular formula of L-Aspartamide, N2-acetyl-L-glutaminyl-N1-(4-((1-(aminocarbonyl)-2-methylpropyl)amino)-2-hydroxy-1-(2-methylpropyl)-4-oxobutyl)-, (1S-(1R*,2R*,4(R*)))- is C24H43N5O8.
The molecular weight of L-Aspartamide, N2-acetyl-L-glutaminyl-N1-(4-((1-(aminocarbonyl)-2-methylpropyl)amino)-2-hydroxy-1-(2-methylpropyl)-4-oxobutyl)-, (1S-(1R*,2R*,4(R*)))- is 529.31116 g/mol.
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