TL;DR: L-Threonine, L-2-aminobutanoyl-L-2-aminobutanoyl-L-asparaginyl-L-tyrosyl- (CAS 123951-88-2) is a chemical compound with molecular formula C25H38N6O9 and molecular weight 566.27 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,3R)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-aminobutanoyl]amino]butanoyl]amino]-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoic acid
Also Known As: H-Abu-Abu-Asn-Tyr-Thr-OH, L-Threonine, L-2-aminobutanoyl-L-2-aminobutanoyl-L-asparaginyl-L-tyrosyl-, H-alpha-Aminobutyric acid-alpha-Aminobutyric acid-Asn-Tyr-Thr-OH, H-.alpha.-Aminobutyric acid-.alpha.-Aminobutyric acid-Asn-Tyr-Thr-OH, N~2~-{(2S)-2-[(2S)-2-Aminobutanamido]butanoyl}-L-asparaginyl-L-tyrosyl-L-threonine
| Molecular Formula | C25H38N6O9 |
| Molecular Weight | 566.27 g/mol |
| XLogP | -4.7 |
| Topological Polar Surface Area (TPSA) | 263.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 16 |
| Exact Mass | 566.27 Da |
| Heavy Atoms | 40 |
| Complexity | 909.0 |
| SMILES | CC[C@@H](C(=O)N[C@@H](CC)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)O)N |
| InChIKey | KOAFWODWSGVWJV-KJSGDYLNSA-N |
The XLogP value of -4.7 indicates that L-Threonine, L-2-aminobutanoyl-L-2-aminobutanoyl-L-asparaginyl-L-tyrosyl- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 263.0 Ų indicates high polarity, suggesting L-Threonine, L-2-aminobutanoyl-L-2-aminobutanoyl-L-asparaginyl-L-tyrosyl- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, L-Threonine, L-2-aminobutanoyl-L-2-aminobutanoyl-L-asparaginyl-L-tyrosyl- has 9 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of L-Threonine, L-2-aminobutanoyl-L-2-aminobutanoyl-L-asparaginyl-L-tyrosyl- is 123951-88-2.
The molecular formula of L-Threonine, L-2-aminobutanoyl-L-2-aminobutanoyl-L-asparaginyl-L-tyrosyl- is C25H38N6O9.
The molecular weight of L-Threonine, L-2-aminobutanoyl-L-2-aminobutanoyl-L-asparaginyl-L-tyrosyl- is 566.27 g/mol.
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