TL;DR: Glycine, N-(N-L-gamma-glutamyl-S-(4-hydroxy-2-butenyl)-L-cysteinyl)- (CAS 133872-50-1) is a chemical compound with molecular formula C14H23N3O7S and molecular weight 377.12567 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-[(E)-4-hydroxybut-2-enyl]sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Also Known As: S-(4-Hydroxy-2-butenyl)glutathione, L-gammaGlu-S-(4-Hydroxy-2-butenyl)-L-Cys-Gly-OH, Glycine, N-(N-L-gamma-glutamyl-S-(4-hydroxy-2-butenyl)-L-cysteinyl)-, (2S)-2-amino-4-{[(1R)-1-[(carboxymethyl)carbamoyl]-2-[(4-hydroxybut-2-en-1-yl)sulfanyl]ethyl]carbamoyl}butanoic acid, (2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-[(E)-4-hydroxybut-2-enyl]sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
| Molecular Formula | C14H23N3O7S |
| Molecular Weight | 377.12567 g/mol |
| XLogP | -4.5 |
| Topological Polar Surface Area (TPSA) | 204.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 13 |
| Exact Mass | 377.12567 Da |
| Heavy Atoms | 25 |
| Complexity | 499.0 |
| SMILES | C(CC(=O)N[C@@H](CSC/C=C/CO)C(=O)NCC(=O)O)[C@@H](C(=O)O)N |
| InChIKey | DZRMVLWZBOMZDV-SPMHKISASA-N |
The XLogP value of -4.5 indicates that Glycine, N-(N-L-gamma-glutamyl-S-(4-hydroxy-2-butenyl)-L-cysteinyl)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 204.0 Ų indicates high polarity, suggesting Glycine, N-(N-L-gamma-glutamyl-S-(4-hydroxy-2-butenyl)-L-cysteinyl)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Glycine, N-(N-L-gamma-glutamyl-S-(4-hydroxy-2-butenyl)-L-cysteinyl)- has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Glycine, N-(N-L-gamma-glutamyl-S-(4-hydroxy-2-butenyl)-L-cysteinyl)- is 133872-50-1.
The molecular formula of Glycine, N-(N-L-gamma-glutamyl-S-(4-hydroxy-2-butenyl)-L-cysteinyl)- is C14H23N3O7S.
The molecular weight of Glycine, N-(N-L-gamma-glutamyl-S-(4-hydroxy-2-butenyl)-L-cysteinyl)- is 377.12567 g/mol.
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