TL;DR: Cyclo(leucyl-leucyl-tryptophyl-glutamyl-alanyl) (CAS 140374-62-5) is a chemical compound with molecular formula C31H44N6O7 and molecular weight 612.32715 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E,4R)-4-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-oxopent-2-enoic acid
Also Known As: Cyclo(leu-leu-trp-glu-ala), WS 7338C, WS-7338C, Cyclo(leucyl-leucyl-tryptophyl-glutamyl-alanyl), Cyclo(L-alanyl-D-leucyl-L-leucyl-D-tryptophyl-D-alpha-glutamyl)
| Molecular Formula | C31H44N6O7 |
| Molecular Weight | 612.32715 g/mol |
| XLogP | -1.4 |
| Topological Polar Surface Area (TPSA) | 213.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 17 |
| Exact Mass | 612.32715 Da |
| Heavy Atoms | 44 |
| Complexity | 1050.0 |
| SMILES | C[C@@H](C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@H](/C=C/C(=O)O)C=O)N |
| InChIKey | ZWYUXHVDMBMPRH-HEZMLDQGSA-N |
The XLogP value of -1.4 indicates that Cyclo(leucyl-leucyl-tryptophyl-glutamyl-alanyl) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 213.0 Ų indicates high polarity, suggesting Cyclo(leucyl-leucyl-tryptophyl-glutamyl-alanyl) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cyclo(leucyl-leucyl-tryptophyl-glutamyl-alanyl) has 7 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Cyclo(leucyl-leucyl-tryptophyl-glutamyl-alanyl) is 140374-62-5.
The molecular formula of Cyclo(leucyl-leucyl-tryptophyl-glutamyl-alanyl) is C31H44N6O7.
The molecular weight of Cyclo(leucyl-leucyl-tryptophyl-glutamyl-alanyl) is 612.32715 g/mol.
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