TL;DR: L-Threoninamide, L-2-aminobutanoyl-L-threonyl-L-asparaginyl-L-tyrosyl- (CAS 123951-84-8) is a chemical compound with molecular formula C25H39N7O9 and molecular weight 581.28094 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-[[(2S,3R)-2-[[(2S)-2-aminobutanoyl]amino]-3-hydroxybutanoyl]amino]-N-[(2S)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]butanediamide
Also Known As: H-Abu-Thr-Asn-Tyr-Thr-NH2, H-alpha-Aminobutyric acid-Thr-Asn-Tyr-Thr-NH2, L-Threoninamide, L-2-aminobutanoyl-L-threonyl-L-asparaginyl-L-tyrosyl-, H-.alpha.-Aminobutyric acid-Thr-Asn-Tyr-Thr-NH2, H-Abu-Thr-Asn-Tyr-Thr-NH2; H-.alpha.-Aminobutyric acid-Thr-Asn-Tyr-Thr-NH2
| Molecular Formula | C25H39N7O9 |
| Molecular Weight | 581.28094 g/mol |
| XLogP | -3.4 |
| Topological Polar Surface Area (TPSA) | 289.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 16 |
| Exact Mass | 581.28094 Da |
| Heavy Atoms | 41 |
| Complexity | 942.0 |
| SMILES | CC[C@@H](C(=O)N[C@@H]([C@@H](C)O)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)N)N |
| InChIKey | ZSPUZMYNBPIWRV-QJYAINQKSA-N |
The XLogP value of -3.4 indicates that L-Threoninamide, L-2-aminobutanoyl-L-threonyl-L-asparaginyl-L-tyrosyl- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 289.0 Ų indicates high polarity, suggesting L-Threoninamide, L-2-aminobutanoyl-L-threonyl-L-asparaginyl-L-tyrosyl- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, L-Threoninamide, L-2-aminobutanoyl-L-threonyl-L-asparaginyl-L-tyrosyl- has 10 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of L-Threoninamide, L-2-aminobutanoyl-L-threonyl-L-asparaginyl-L-tyrosyl- is 123951-84-8.
The molecular formula of L-Threoninamide, L-2-aminobutanoyl-L-threonyl-L-asparaginyl-L-tyrosyl- is C25H39N7O9.
The molecular weight of L-Threoninamide, L-2-aminobutanoyl-L-threonyl-L-asparaginyl-L-tyrosyl- is 581.28094 g/mol.
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