Account Enlicitide chloride
- Catalog No. :
- ACJQGU958
- CAS No. :
- 2407527-16-4
- Molecular Formula :
- C82H110ClFN14O15
- Molecular Weight :
- 1586.32
IUPAC Name:Enlicitide chloride
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Product Information
| Product Name | Enlicitide chloride |
|---|---|
| IUPAC Name | Enlicitide chloride |
| MDL No. | MFCD35597944 |
| Molecular Formula | C82H110ClFN14O15 |
| Molecular Weight | 1586.32 |
| SMILES | FC=1C=C2C3=CN(C2=CC1)CCCCCCN4CC=5C=CC(=CC5)CCNC(=O)[C@@]6(C)N(C(=O)[C@H](CC7=CC=C(OC)C=C7)NC(=O)[C@]([C@@H](C)O)(NC(=O)[C@]8(N9C(=O)[C@](C3)(NC(=O)[C@](CC=%10C=C(C=CC%10)CNC(=O)CO[C@]8(CC9)[H])(NC(=O)[C@@H](CNC(CCCCC[N+](C)(C)C)=O)NC(=O)[C@H](C)NC(=O)CCC4=O)[H])[H])[H])[H])CCC6.[Cl-] |
| InChI Key | CLOLWQCFULXMAR-QQCDJELVSA-N |
| Synonym | Enlicitide chloride;L-Proline, L-alanyl-3-[[1-oxo-6-(trimethylammonio)hexyl]amino]-D-alanyl-3-[[(2-hydroxyacetyl)amino]methyl]-L-phenylalanyl-1-[6-[[[4-(2-aminoethyl)phenyl]methyl](3-carboxy-1-oxopropyl)amino]hexyl]-5-fluoro-L-tryptophyl-(3S)-3-hydroxy-L-prolyl-L-threonyl-O-methyl-L-tyrosyl-2-methyl-, (4→1),(8→4)-dilac…;L-Proline, L-alanyl-3-[[1-oxo-6-(trimethylammonio)hexyl]amino]-D-alanyl-3-[[(2-hydroxyacetyl)amino]methyl]-L-phenylalanyl-1-[6-[[[4-(2-aminoethyl)phenyl]methyl](3-carboxy-1-oxopropyl)amino]hexyl]-5-fluoro-L-tryptophyl-(3S)-3-hydroxy-L-prolyl-L-threonyl-O-methyl-L-tyrosyl-2-methyl-, (4→1),(8→4)-dilactam, cyclic (3→5)-ether, chloride (1:1);EnlicitideDecanoate (MK-0616);Enlicitide |
| CAS No. | 2407527-16-4 |
Safety Data
- Pictogram
- Signal Word
- Achtung
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Synthetic Route by SureRoute
2. ACJQGU958 Molecular Building Block Synthetic Route
-
(S)-1-(4-((S)-2-(2-((6S,9S,12S,18R,21S,24S,27S,30S,33S,36S,38aS,40R,44S,47S,49aS)-36-((1H-indol-3-yl)methyl)-6-(2-amino-2-oxoethyl)-33-(2-aminoethyl)-47-(aminomethyl)-24,27-dibutyl-30-((1-(carboxymethyl)-1H-indol-3-yl)methyl)-40-hydroxy-12-(4-hydroxybenzyl)-21,44-diisobutyl-9,10,25,28-tetramethyl-5,8,11,14,20,23,26,29,32,35,38,43,46,49-tetradecaoxohexatetracontahydro-1H,5H-dipyrrolo[2,1-g1:2',1'-x][1]thia[4,7,10,13,16,19,22,25,28,31,34,37,40,43]tetradecaazacyclopentatetracontine-18-carboxamido)acetamido)-2-carboxyethyl)-1H-1,2,3-triazol-1-yl)-40-carboxy-37,42-dioxo-3,6,9,12,15,18,21,24,27,30,33-undecaoxa-36,41-diazanonapentacontan-59-oic acid
(S)-1-(4-((S)-2-(2-((6S,9S,12S,18R,21S,24S,27S,30S,33S,36S,38aS,40R,44S,47S,49aS)-36-((1H-indol-3-yl)methyl)-6-(2-amino-2-oxoethyl)-33-(2-aminoethyl)-47-(aminomethyl)-24,27-dibutyl-30-((1-(carboxymethyl)-1H-indol-3-yl)methyl)-40-hydroxy-12-(4-hydroxybenzyl)-21,44-diisobutyl-9,10,25,28-tetramethyl-5,8,11,14,20,23,26,29,32,35,38,43,46,49-tetradecaoxohexatetracontahydro-1H,5H-dipyrrolo[2,1-g1:2',1'-x][1]thia[4,7,10,13,16,19,22,25,28,31,34,37,40,43]tetradecaazacyclopentatetracontine-18-carboxamido)acetamido)-2-carboxyethyl)-1H-1,2,3-triazol-1-yl)-40-carboxy-37,42-dioxo-3,6,9,12,15,18,21,24,27,30,33-undecaoxa-36,41-diazanonapentacontan-59-oic acid compound with acetic acid (1:1)