TL;DR: N-Benzyloxycarbonyl-leucyl-leucyl-phenylalaninal (CAS 143839-79-6) is a chemical compound with molecular formula C29H39N3O5 and molecular weight 509.28897 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl N-[(2S)-4-methyl-1-[[(2S)-4-methyl-2-[(1-oxo-3-phenylpropan-2-yl)amino]pentanoyl]amino]-1-oxopentan-2-yl]carbamate
Also Known As: Z-Leu-leu-phe-al, Z-Llf-CHO, Boc-leu-leu-phe-cho, N-Benzyloxycarbonyl-leucyl-leucyl-phenylalaninal, benzyl N-[(2S)-4-methyl-1-[[(2S)-4-methyl-2-[(1-oxo-3-phenylpropan-2-yl)amino]pentanoyl]amino]-1-oxopentan-2-yl]carbamate
| Molecular Formula | C29H39N3O5 |
| Molecular Weight | 509.28897 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 114.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 15 |
| Exact Mass | 509.28897 Da |
| Heavy Atoms | 37 |
| Complexity | 714.0 |
| SMILES | CC(C)C[C@@H](C(=O)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1)NC(CC2=CC=CC=C2)C=O |
| InChIKey | DTIABGUJCAYDRL-WIXBZOCESA-N |
The XLogP value of 5.1 indicates that N-Benzyloxycarbonyl-leucyl-leucyl-phenylalaninal is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Benzyloxycarbonyl-leucyl-leucyl-phenylalaninal. Following Lipinski's Rule of Five, N-Benzyloxycarbonyl-leucyl-leucyl-phenylalaninal has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of N-Benzyloxycarbonyl-leucyl-leucyl-phenylalaninal is 143839-79-6.
The molecular formula of N-Benzyloxycarbonyl-leucyl-leucyl-phenylalaninal is C29H39N3O5.
The molecular weight of N-Benzyloxycarbonyl-leucyl-leucyl-phenylalaninal is 509.28897 g/mol.
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