TL;DR: L-alpha-Asparagine, N2-(1-(N2-acetyl-L-arginyl)-L-prolyl)-N-(2-methylpropyl)- (CAS 162821-52-5) is a chemical compound with molecular formula C21H37N7O6 and molecular weight 483.28052 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S)-3-[[(2S)-1-[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-4-(2-methylpropylamino)-4-oxobutanoic acid
Also Known As: IRI-695 free base, L-alpha-Asparagine, N2-(1-(N2-acetyl-L-arginyl)-L-prolyl)-N-(2-methylpropyl)-, L-.ALPHA.-ASPARAGINE, N2-(1-(N2-ACETYL-L-ARGINYL)-L-PROLYL)-N-(2-METHYLPROPYL)-, (3S)-3-{[(2S)-1-[(2S)-5-carbamimidamido-2-acetamidopentanoyl]pyrrolidin-2-yl]formamido}-3-[(2-methylpropyl)carbamoyl]propanoic acid, OIB5QD47RR
| Molecular Formula | C21H37N7O6 |
| Molecular Weight | 483.28052 g/mol |
| XLogP | -1.7 |
| Topological Polar Surface Area (TPSA) | 209.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 13 |
| Exact Mass | 483.28052 Da |
| Heavy Atoms | 34 |
| Complexity | 782.0 |
| SMILES | CC(C)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)C |
| InChIKey | XDFRLRDJCYFKBE-JYJNAYRXSA-N |
The XLogP value of -1.7 indicates that L-alpha-Asparagine, N2-(1-(N2-acetyl-L-arginyl)-L-prolyl)-N-(2-methylpropyl)- 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-alpha-Asparagine, N2-(1-(N2-acetyl-L-arginyl)-L-prolyl)-N-(2-methylpropyl)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, L-alpha-Asparagine, N2-(1-(N2-acetyl-L-arginyl)-L-prolyl)-N-(2-methylpropyl)- has 6 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of L-alpha-Asparagine, N2-(1-(N2-acetyl-L-arginyl)-L-prolyl)-N-(2-methylpropyl)- is 162821-52-5.
The molecular formula of L-alpha-Asparagine, N2-(1-(N2-acetyl-L-arginyl)-L-prolyl)-N-(2-methylpropyl)- is C21H37N7O6.
The molecular weight of L-alpha-Asparagine, N2-(1-(N2-acetyl-L-arginyl)-L-prolyl)-N-(2-methylpropyl)- is 483.28052 g/mol.
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