TL;DR: 4-Aminobenzoyl-Gly-Pro-D-Leu-D-Ala hydroxamic acid (CAS 124168-73-6) is a chemical compound with molecular formula C23H34N6O6 and molecular weight 490.254 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2-[(4-aminobenzoyl)amino]acetyl]-N-[1-[[1-(hydroxyamino)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
Also Known As: MMP Inhibitor I, 4-Abz-Gly-Pro-D-Leu-D-Ala-NHOH, FN-439 (TFA), 4-Aminobenzoyl-Gly-Pro-D-Leu-D-Ala hydroxamic acid, FN 439
| Molecular Formula | C23H34N6O6 |
| Molecular Weight | 490.254 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 183.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 490.254 Da |
| Heavy Atoms | 35 |
| Complexity | 782.0 |
| SMILES | CC(C)CC(C(=O)NC(C)C(=O)NO)NC(=O)C1CCCN1C(=O)CNC(=O)C2=CC=C(C=C2)N |
| InChIKey | WWHUHFFMOPIVKB-UHFFFAOYSA-N |
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Aminobenzoyl-Gly-Pro-D-Leu-D-Ala hydroxamic acid. The TPSA of 183.0 Ų indicates high polarity, suggesting 4-Aminobenzoyl-Gly-Pro-D-Leu-D-Ala hydroxamic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Aminobenzoyl-Gly-Pro-D-Leu-D-Ala hydroxamic acid has 6 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 4-Aminobenzoyl-Gly-Pro-D-Leu-D-Ala hydroxamic acid is 124168-73-6.
The molecular formula of 4-Aminobenzoyl-Gly-Pro-D-Leu-D-Ala hydroxamic acid is C23H34N6O6.
The molecular weight of 4-Aminobenzoyl-Gly-Pro-D-Leu-D-Ala hydroxamic acid is 490.254 g/mol.
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