TL;DR: Oleoylalanyl-alanyl-prolyl-N-propylvalinamide (CAS 121258-39-7) is a chemical compound with molecular formula C37H67N5O5 and molecular weight 661.5142 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-N-[(2S)-3-methyl-2-(propylamino)butanoyl]-1-[(2S)-2-[[(2S)-2-[[(Z)-octadec-9-enoyl]amino]propanoyl]amino]propanoyl]pyrrolidine-2-carboxamide
Also Known As: Ol-Ala-ala-pro-val-NH-C3H7, Oleoylalanyl-alanyl-prolyl-N-propylvalinamide, (2S)-N-[(2S)-3-methyl-2-(propylamino)butanoyl]-1-[(2S)-2-[[(2S)-2-[[(Z)-octadec-9-enoyl]amino]propanoyl]amino]propanoyl]pyrrolidine-2-carboxamide, L-Valinamide, N-(1-oxo-9-octadecenyl)-L-alanyl-L-alanyl-L-prolyl-N-propyl-, (Z)-, (2s)-n-[(2s)-3-methyl-2-propylaminobutanoyl]-1-[(2s)-2-[[(2s)-2-[[(z)-octadec-9-enoyl]amino]propanoyl]amino]propanoyl]pyrrolidine-2-carboxamide
| Molecular Formula | C37H67N5O5 |
| Molecular Weight | 661.5142 g/mol |
| XLogP | 8.2 |
| Topological Polar Surface Area (TPSA) | 137.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 25 |
| Exact Mass | 661.5142 Da |
| Heavy Atoms | 47 |
| Complexity | 969.0 |
| SMILES | CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NC(=O)[C@H](C(C)C)NCCC |
| InChIKey | IAQMBFBKDAKXNQ-DRAQGEPQSA-N |
The XLogP value of 8.2 indicates that Oleoylalanyl-alanyl-prolyl-N-propylvalinamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Oleoylalanyl-alanyl-prolyl-N-propylvalinamide. Following Lipinski's Rule of Five, Oleoylalanyl-alanyl-prolyl-N-propylvalinamide has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Oleoylalanyl-alanyl-prolyl-N-propylvalinamide is 121258-39-7.
The molecular formula of Oleoylalanyl-alanyl-prolyl-N-propylvalinamide is C37H67N5O5.
The molecular weight of Oleoylalanyl-alanyl-prolyl-N-propylvalinamide is 661.5142 g/mol.
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