TL;DR: Glycyl-alanyl-isoleucine (CAS 137730-92-8) is a chemical compound with molecular formula C11H21N3O4 and molecular weight 259.1532 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,3S)-2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]-3-methylpentanoic acid
Also Known As: Gly-ala-ile, Glycyl-alanyl-isoleucine, Glycyl-L-alanyl-L-isoleucine, L-Isoleucine, N-(N-glycyl-L-alanyl)-, L-Isoleucine,N-(N-glycyl-L-alanyl)-
| Molecular Formula | C11H21N3O4 |
| Molecular Weight | 259.1532 g/mol |
| XLogP | -3.3 |
| Topological Polar Surface Area (TPSA) | 122.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 259.1532 Da |
| Heavy Atoms | 18 |
| Complexity | 319.0 |
| SMILES | CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H](C)NC(=O)CN |
| InChIKey | YMUFWNJHVPQNQD-ZKWXMUAHSA-N |
The XLogP value of -3.3 indicates that Glycyl-alanyl-isoleucine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Glycyl-alanyl-isoleucine. Following Lipinski's Rule of Five, Glycyl-alanyl-isoleucine has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Glycyl-alanyl-isoleucine is 137730-92-8.
The molecular formula of Glycyl-alanyl-isoleucine is C11H21N3O4.
The molecular weight of Glycyl-alanyl-isoleucine is 259.1532 g/mol.
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