TL;DR: Benzyloxycarbonyl-alanyl-alanyl-lysyl-4-methoxy-2-naphthylamide (CAS 100900-14-9) is a chemical compound with molecular formula C31H39N5O6 and molecular weight 577.29004 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl N-[(2S)-1-[[1-[[(2S)-6-amino-1-[(4-methoxynaphthalen-2-yl)amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamate
Also Known As: Z-Ala-ala-lys-mna, Benzyloxycarbonyl-alanyl-alanyl-lysyl-4-methoxy-2-naphthylamide, Z-Ala-Ala-Lys-4MbetaNA formiate salt, benzyl N-[(2S)-1-[[1-[[(2S)-6-amino-1-[(4-methoxynaphthalen-2-yl)amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamate, L-Lysinamide, N-((phenylmethoxy)carbonyl)-L-alanyl-L-alanyl-N-(4-methoxy-2-naphthalenyl)-
| Molecular Formula | C31H39N5O6 |
| Molecular Weight | 577.29004 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 161.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 15 |
| Exact Mass | 577.29004 Da |
| Heavy Atoms | 42 |
| Complexity | 882.0 |
| SMILES | C[C@@H](C(=O)NC(C)C(=O)N[C@@H](CCCCN)C(=O)NC1=CC2=CC=CC=C2C(=C1)OC)NC(=O)OCC3=CC=CC=C3 |
| InChIKey | UQMLGUGORCPCIU-ZVTMKPAUSA-N |
The XLogP value of 3.2 indicates that Benzyloxycarbonyl-alanyl-alanyl-lysyl-4-methoxy-2-naphthylamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 161.0 Ų indicates high polarity, suggesting Benzyloxycarbonyl-alanyl-alanyl-lysyl-4-methoxy-2-naphthylamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzyloxycarbonyl-alanyl-alanyl-lysyl-4-methoxy-2-naphthylamide has 5 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Benzyloxycarbonyl-alanyl-alanyl-lysyl-4-methoxy-2-naphthylamide is 100900-14-9.
The molecular formula of Benzyloxycarbonyl-alanyl-alanyl-lysyl-4-methoxy-2-naphthylamide is C31H39N5O6.
The molecular weight of Benzyloxycarbonyl-alanyl-alanyl-lysyl-4-methoxy-2-naphthylamide is 577.29004 g/mol.
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