TL;DR: N,N'-Bis(carbobenzyloxy)lysylvaline methyl ester (CAS 106503-37-1) is a chemical compound with molecular formula C28H37N3O7 and molecular weight 527.2631 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[2,6-bis(phenylmethoxycarbonylamino)hexanoylamino]-3-methylbutanoate
Also Known As: N,N'-BIS(CARBOBENZYLOXY)LYSYLVALINE METHYL ESTER, Methyl 2-[2,6-bis(phenylmethoxycarbonylamino)hexanoylamino]-3-methyl-butanoate, methyl 2-[2,6-bis(phenylmethoxycarbonylamino)hexanoylamino]-3-methylbutanoate, 668-986-0
| Molecular Formula | C28H37N3O7 |
| Molecular Weight | 527.2631 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 132.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 17 |
| Exact Mass | 527.2631 Da |
| Heavy Atoms | 38 |
| Complexity | 734.0 |
| SMILES | CC(C)C(C(=O)OC)NC(=O)C(CCCCNC(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2 |
| InChIKey | QCZQCQCZWMZCBE-UHFFFAOYSA-N |
The XLogP value of 4.4 indicates that N,N'-Bis(carbobenzyloxy)lysylvaline methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N'-Bis(carbobenzyloxy)lysylvaline methyl ester. Following Lipinski's Rule of Five, N,N'-Bis(carbobenzyloxy)lysylvaline methyl ester has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of N,N'-Bis(carbobenzyloxy)lysylvaline methyl ester is 106503-37-1.
The molecular formula of N,N'-Bis(carbobenzyloxy)lysylvaline methyl ester is C28H37N3O7.
The molecular weight of N,N'-Bis(carbobenzyloxy)lysylvaline methyl ester is 527.2631 g/mol.
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