TL;DR: Enkephalinamide-leu, cyclo(alpha,gamma-dibutyric acid(2)-glutamyl(3))- (CAS 157878-99-4) is a chemical compound with molecular formula C33H45N7O7 and molecular weight 651.3381 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4R)-4-[[(E)-2-amino-3-(4-hydroxyphenyl)prop-1-enyl]amino]-5-[[(2S)-1-[[(2S)-1-(2,4-diaminobutanoylamino)-4-methyl-1-oxopent-3-en-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoic acid
Also Known As: LECDG, Enkephalinamide, cyclo(dab(2)-D-glu(3))leucine, Leucine enkephalinamide, cyclo(dab(2)-glu(3))-, Enkephalinamide-leu, cyclo(alpha,gamma-dibutyric acid(2)-glutamyl(3))-, Leu-enkephalinamide, cyclo(dibutyric acid(2)-glutamyl(3))-
| Molecular Formula | C33H45N7O7 |
| Molecular Weight | 651.3381 g/mol |
| XLogP | -1.0 |
| Topological Polar Surface Area (TPSA) | 252.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 18 |
| Exact Mass | 651.3381 Da |
| Heavy Atoms | 47 |
| Complexity | 1110.0 |
| SMILES | CC(=C[C@@H](C(=O)NC(=O)C(CCN)N)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](CCC(=O)O)N/C=C(\CC2=CC=C(C=C2)O)/N)C |
| InChIKey | MTHFFDZIGRKBNR-YGXJWFIUSA-N |
The XLogP value of -1.0 indicates that Enkephalinamide-leu, cyclo(alpha,gamma-dibutyric acid(2)-glutamyl(3))- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 252.0 Ų indicates high polarity, suggesting Enkephalinamide-leu, cyclo(alpha,gamma-dibutyric acid(2)-glutamyl(3))- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Enkephalinamide-leu, cyclo(alpha,gamma-dibutyric acid(2)-glutamyl(3))- has 9 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Enkephalinamide-leu, cyclo(alpha,gamma-dibutyric acid(2)-glutamyl(3))- is 157878-99-4.
The molecular formula of Enkephalinamide-leu, cyclo(alpha,gamma-dibutyric acid(2)-glutamyl(3))- is C33H45N7O7.
The molecular weight of Enkephalinamide-leu, cyclo(alpha,gamma-dibutyric acid(2)-glutamyl(3))- is 651.3381 g/mol.
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