TL;DR: Cyclo(valyl-valyl-tryptophyl-glutamyl-alanyl) (CAS 140374-63-6) is a chemical compound with molecular formula C29H40N6O7 and molecular weight 584.29584 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4R)-4-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]amino]-3-methylbut-3-enoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-oxopentanoic acid
Also Known As: Cyclo(val-val-trp-glu-ala), WS 7338D, WS-7338D, Cyclo(valyl-valyl-tryptophyl-glutamyl-alanyl), (4R)-4-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]amino]-3-methylbut-3-enoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-oxopentanoic acid
| Molecular Formula | C29H40N6O7 |
| Molecular Weight | 584.29584 g/mol |
| XLogP | -1.5 |
| Topological Polar Surface Area (TPSA) | 213.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 16 |
| Exact Mass | 584.29584 Da |
| Heavy Atoms | 42 |
| Complexity | 1020.0 |
| SMILES | C[C@@H](C(=O)N[C@H](C(C)C)C(=O)N[C@@H](C(=C)C)C(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@H](CCC(=O)O)C=O)N |
| InChIKey | GIWOOCFNDNBDNS-QOTWGDGUSA-N |
The XLogP value of -1.5 indicates that Cyclo(valyl-valyl-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(valyl-valyl-tryptophyl-glutamyl-alanyl) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cyclo(valyl-valyl-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(valyl-valyl-tryptophyl-glutamyl-alanyl) is 140374-63-6.
The molecular formula of Cyclo(valyl-valyl-tryptophyl-glutamyl-alanyl) is C29H40N6O7.
The molecular weight of Cyclo(valyl-valyl-tryptophyl-glutamyl-alanyl) is 584.29584 g/mol.
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