Account (3S,6S,9S,15S,18S,21S)-9-((1H-indol-3-yl)methyl)-21-amino-3-(((S)-1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl)-6,15-bis(2-(methylthio)ethyl)-5,8,11,14,17,20-hexaoxo-18-(4-(sulfooxy)benzyl)-4,7,10,13,16,19-hexaazatricosanedioic acid, ammonia salt
- Catalog No. :
- ACEXQK804
- CAS No. :
- 70706-98-8
- Molecular Formula :
- C49H65N11O16S3
- Molecular Weight :
- 1160.32
IUPAC Name:(3S,6S,9S,15S,18S,21S)-9-((1H-indol-3-yl)methyl)-21-amino-3-(((S)-1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl)-6,15-bis(2-(methylthio)ethyl)-5,8,11,14,17,20-hexaoxo-18-(4-(sulfooxy)benzyl)-4,7,10,13,16,19-hexaazatricosanedioic acid, ammonia salt
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Product Information
| Product Name | (3S,6S,9S,15S,18S,21S)-9-((1H-indol-3-yl)methyl)-21-amino-3-(((S)-1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl)-6,15-bis(2-(methylthio)ethyl)-5,8,11,14,17,20-hexaoxo-18-(4-(sulfooxy)benzyl)-4,7,10,13,16,19-hexaazatricosanedioic acid, ammonia salt |
|---|---|
| IUPAC Name | (3S,6S,9S,15S,18S,21S)-9-((1H-indol-3-yl)methyl)-21-amino-3-(((S)-1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl)-6,15-bis(2-(methylthio)ethyl)-5,8,11,14,17,20-hexaoxo-18-(4-(sulfooxy)benzyl)-4,7,10,13,16,19-hexaazatricosanedioic acid, ammonia salt |
| MDL No. | MFCD34676992 |
| Molecular Formula | C49H65N11O16S3 |
| Molecular Weight | 1160.32 |
| SMILES | CSCC[C@H](NC(=O)[C@H](CC1=CC=C(OS(=O)(=O)O)C=C1)NC(=O)[C@@H](N)CC(=O)O)C(=O)NCC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O.N |
| InChI Key | SKHSHPLUIPFDPM-ITZXPNBCSA-N |
| Synonym | Sincalide ammonium (Cholecystokinin octapeptide ammonium);Cholecystokinin octapeptide ammonium;Sincalide ammonium;SQ19844 ammonium;SQ19844 ammonium|||CCK-8 ammonium|||Cholecystokinin octapeptide ammonium |
| CAS No. | 70706-98-8 |
Synthetic Route by SureRoute
2. ACEXQK804 Molecular Building Block Synthetic Route
(3S,6S,9S,15S,18S,21S)-9-((1H-indol-3-yl)methyl)-21-amino-3-(((S)-1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl)-6,15-bis(2-(methylthio)ethyl)-5,8,11,14,17,20-hexaoxo-18-(4-(sulfooxy)benzyl)-4,7,10,13,16,19-hexaazatricosanedioic acid
N-acetyl CCK-(26-30) amide
(5S,8S,14S,17S,20S)-8-((1H-Indol-3-yl)methyl)-20-acetamido-5-carbamoyl-14-(2-(methylthio)ethyl)-7,10,13,16,19-pentaoxo-17-(4-(sulfooxy)benzyl)-2-thia-6,9,12,15,18-pentaazadocosan-22-oic acid