TL;DR: Fluoresceinthiocarbamoyl-lys-glcnac-1-4-murnac-ala-isoglutamine (CAS 143873-62-5) is a chemical compound with molecular formula C54H68N8O22S and molecular weight 1212.4169 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[[(5S)-5-[[(2R)-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoyl]amino]-5-amino-5-oxopentanoyl]amino]-5-carboxypentyl]carbamothioylamino]-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid
Also Known As: Gmdp-lys-flutc, Fluoresceinthiocarbamoyl-lys-gmdp, Fluoresceinthiocarbamoyl-lys-glcnac-1-4-murnac-ala-isoglutamine, Fluorescent ligand, glcnac-beta1-4-mur-N-Ac-alanyl-D-isoglutamine-lysine-flutc, 5-[[(5S)-5-[[(2R)-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoyl]amino]-5-amino-5-oxopentanoyl]amino]-5-carboxypentyl]carbamothioylamino]-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid
| Molecular Formula | C54H68N8O22S |
| Molecular Weight | 1212.4169 g/mol |
| XLogP | -3.6 |
| Topological Polar Surface Area (TPSA) | 504.0 Ų |
| Hydrogen Bond Donors | 16 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 26 |
| Exact Mass | 1212.4169 Da |
| Heavy Atoms | 85 |
| Complexity | 2570.0 |
| SMILES | C[C@@H](C(=O)N[C@H](CCC(=O)N)C(=O)N[C@@H](CCCCNC(=S)NC1=CC(=C(C=C1)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O)C(=O)O)C(=O)O)NC(=O)C(C)O[C@@H]5[C@H]([C@H](O[C@@H]([C@H]5O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)NC(=O)C)CO)O)NC(=O)C |
| InChIKey | IYEPWZGLWUMXLB-ZMSHBMNVSA-N |
The XLogP value of -3.6 indicates that Fluoresceinthiocarbamoyl-lys-glcnac-1-4-murnac-ala-isoglutamine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 504.0 Ų indicates high polarity, suggesting Fluoresceinthiocarbamoyl-lys-glcnac-1-4-murnac-ala-isoglutamine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Fluoresceinthiocarbamoyl-lys-glcnac-1-4-murnac-ala-isoglutamine has 16 hydrogen bond donor(s) and 23 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Fluoresceinthiocarbamoyl-lys-glcnac-1-4-murnac-ala-isoglutamine is 143873-62-5.
The molecular formula of Fluoresceinthiocarbamoyl-lys-glcnac-1-4-murnac-ala-isoglutamine is C54H68N8O22S.
The molecular weight of Fluoresceinthiocarbamoyl-lys-glcnac-1-4-murnac-ala-isoglutamine is 1212.4169 g/mol.
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