Account (3S,6R,9S,12S,15S,19R,20aS)-6-((1H-indol-3-yl)methyl)-9-(4-aminobutyl)-15-benzyl-12-(4-(benzyloxy)benzyl)-1,4,7,10,13,16-hexaoxo-3-phenylicosahydropyrrolo[1,2-a][1,4,7,10,13,16]hexaazacyclooctadecin-19-yl (2-aminoethyl)carbamate acetate
- Catalog No. :
- ACWLDQ648
- CAS No. :
- 396091-76-2
- Molecular Formula :
- C60H70N10O11
- Molecular Weight :
- 1107.28
IUPAC Name:(3S,6R,9S,12S,15S,19R,20aS)-6-((1H-indol-3-yl)methyl)-9-(4-aminobutyl)-15-benzyl-12-(4-(benzyloxy)benzyl)-1,4,7,10,13,16-hexaoxo-3-phenylicosahydropyrrolo[1,2-a][1,4,7,10,13,16]hexaazacyclooctadecin-19-yl (2-aminoethyl)carbamate acetate
![(3S,6R,9S,12S,15S,19R,20aS)-6-((1H-indol-3-yl)methyl)-9-(4-aminobutyl)-15-benzyl-12-(4-(benzyloxy)benzyl)-1,4,7,10,13,16-hexaoxo-3-phenylicosahydropyrrolo[1,2-a][1,4,7,10,13,16]hexaazacyclooctadecin-19-yl (2-aminoethyl)carbamate acetate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (3S,6R,9S,12S,15S,19R,20aS)-6-((1H-indol-3-yl)methyl)-9-(4-aminobutyl)-15-benzyl-12-(4-(benzyloxy)benzyl)-1,4,7,10,13,16-hexaoxo-3-phenylicosahydropyrrolo[1,2-a][1,4,7,10,13,16]hexaazacyclooctadecin-19-yl (2-aminoethyl)carbamate acetate |
|---|---|
| IUPAC Name | (3S,6R,9S,12S,15S,19R,20aS)-6-((1H-indol-3-yl)methyl)-9-(4-aminobutyl)-15-benzyl-12-(4-(benzyloxy)benzyl)-1,4,7,10,13,16-hexaoxo-3-phenylicosahydropyrrolo[1,2-a][1,4,7,10,13,16]hexaazacyclooctadecin-19-yl (2-aminoethyl)carbamate acetate |
| Molecular Formula | C60H70N10O11 |
| Molecular Weight | 1107.28 |
| SMILES | CC(=O)O.NCCCC[C@@H]1NC(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC(=O)[C@H](C2=CC=CC=C2)NC(=O)[C@@H]2C[C@@H](OC(=O)NCCN)CN2C(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC2=CC=C(OCC3=CC=CC=C3)C=C2)NC1=O |
| InChI Key | WFKFNBBHVLMWQH-QKXVGOHISA-N |
| Synonym | Pasireotide Acetate;Pasireotide Acetate(acetate);Somatostatin Receptor,sst3,Inhibitor,SOM230,SOM 230,Pasireotide,proapoptotic,sst1,antiproliferative,inhibit,somatostatin,SSTRs,sst4,SOM-230,SSTR,sst5,antisecretory,Pasireotide Acetate,sst2 |
| CAS No. | 396091-76-2 |
| PubChem CID | 72205932 |
Synthetic Route by SureRoute
2. ACWLDQ648 Molecular Building Block Synthetic Route
(4R,7R,10S,13S,19S,E)-7-((1H-Indol-3-yl)methyl)-10-(4-aminobutyl)-4-(4-hydroxyphenyl)-8,13,15,19-tetramethyl-1-oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetraone
Enlicitide chloride
(3S)-3-((S)-4-amino-2-((S)-2-decanamido-3-(1H-indol-3-yl)propanamido)-4-oxobutanamido)-4-(((5R,8S,11S,14R,15S,21S,24S,27R,30S)-11-(2-(2-aminophenyl)-2-oxoethyl)-21-(3-aminopropyl)-24-(carboxymethyl)-8-((R)-1-carboxypropan-2-yl)-5-(hydroxymethyl)-14,27-dimethyl-3,6,9,12,16,19,22,25,28,32,33-undecaoxo-13-oxa-1,4,7,10,17,20,23,26,29-nonaazabicyclo[28.2.1]tritriacontan-15-yl)amino)-4-oxobutanoic acid