TL;DR: N-Carbobenzoxyleucyl-leucyl-arginine-2-naphthylamide (CAS 112219-39-3) is a chemical compound with molecular formula C36H49N7O5 and molecular weight 659.3795 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl N-[(2S)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-2-(naphthalen-2-ylamino)pentanoyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
Also Known As: Cbz-leu-leu-arg-2-nnp, N-Carbobenzoxyleucyl-leucyl-arginine-2-naphthylamide, benzyl N-[(2S)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-2-(naphthalen-2-ylamino)pentanoyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate, N-[(Benzyloxy)carbonyl]-L-leucyl-N-{(2S)-5-[(diaminomethylidene)amino]-2-[(naphthalen-2-yl)amino]pentanoyl}-L-leucinamide
| Molecular Formula | C36H49N7O5 |
| Molecular Weight | 659.3795 g/mol |
| XLogP | 5.5 |
| Topological Polar Surface Area (TPSA) | 190.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 18 |
| Exact Mass | 659.3795 Da |
| Heavy Atoms | 48 |
| Complexity | 1060.0 |
| SMILES | CC(C)C[C@@H](C(=O)NC(=O)[C@H](CCCN=C(N)N)NC1=CC2=CC=CC=C2C=C1)NC(=O)[C@H](CC(C)C)NC(=O)OCC3=CC=CC=C3 |
| InChIKey | XRQVSPWHGQGBJH-CHQNGUEUSA-N |
The XLogP value of 5.5 indicates that N-Carbobenzoxyleucyl-leucyl-arginine-2-naphthylamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 190.0 Ų indicates high polarity, suggesting N-Carbobenzoxyleucyl-leucyl-arginine-2-naphthylamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-Carbobenzoxyleucyl-leucyl-arginine-2-naphthylamide has 6 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of N-Carbobenzoxyleucyl-leucyl-arginine-2-naphthylamide is 112219-39-3.
The molecular formula of N-Carbobenzoxyleucyl-leucyl-arginine-2-naphthylamide is C36H49N7O5.
The molecular weight of N-Carbobenzoxyleucyl-leucyl-arginine-2-naphthylamide is 659.3795 g/mol.
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