N-pentafluorobenzoylmethionylglycine-N-hydroxysuccinimide ester
(2,5-dioxopyrrolidin-1-yl) 2-[[(2S)-4-methylsulfanyl-2-[(2,3,4,5,6-pentafluorobenzoyl)amino]butanoyl]amino]acetate
Also Known As: N-Pfb-met-gly-nhs|NPMGN|N-Pentafluorobenzoylmethionylglycine-N-hydroxysuccinimide ester|2,5-dioxopyrrolidin-1-yl n-(pentafluorobenzoyl)-l-methionylglycinate|2,5-Pyrrolidinedione, 1-((N-(N-(pentafluorobenzoyl)-L-methionyl)glycyl)oxy)-|N-pentafluorobenzoyl-methionyl-glycine-N-hydroxysuccinimide ester|(2,5-dioxopyrrolidin-1-yl) 2-[[(2S)-4-methylsulfanyl-2-[(2,3,4,5,6-pentafluorobenzoyl)amino]butanoyl]amino]acetate|N-[(2S)-1-({2-[(2,5-Dioxopyrrolidin-1-yl)oxy]-2-oxoethyl}imino)-1-hydroxy-4-(methylsulfanyl)butan-2-yl]-2,3,4,5,6-pentafluorobenzene-1-carboximidic acid|N-[1-({2-[(2,5-Dioxopyrrolidin-1-yl)oxy]-2-oxoethyl}imino)-1-hydroxy-4-(methylsulfanyl)butan-2-yl]-2,3,4,5,6-pentafluorobenzene-1-carboximidic acid
| Molecular Formula | C18H16F5N3O6S |
|---|---|
| Molecular Weight | 497.068 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 147.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 10 |
| Exact Mass | 497.068 |
| Monoisotopic Mass | 497.068 |
| Heavy Atoms | 33 |
| Complexity | 761.0 |
Chemical Identifiers
| CAS Number | 894-18-8 |
|---|---|
| SMILES | CSCC[C@@H](C(=O)NCC(=O)ON1C(=O)CCC1=O)NC(=O)C2=C(C(=C(C(=C2F)F)F)F)F |
| InChIKey | HZCMYWNNRKQTET-ZETCQYMHSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-pentafluorobenzoylmethionylglycine-N-hydroxysuccinimide ester (CAS 894-18-8), with molecular formula C18H16F5N3O6S and molecular weight 497.068 g/mol. IUPAC: (2,5-dioxopyrrolidin-1-yl) 2-[[(2S)-4-methylsulfanyl-2-[(2,3,4,5,6-pentafluorobenzoyl)amino]butanoyl]amino]acetate.