Account (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
- Catalog No. :
- ACEPUT583
- CAS No. :
- 89911-65-9
- Molecular Formula :
- C38H50N8O13S3
- Molecular Weight :
- 923.06
IUPAC Name:(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
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Product Information
| Product Name | (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 |
|---|---|
| IUPAC Name | (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 |
| Molecular Formula | C38H50N8O13S3 |
| Molecular Weight | 923.06 |
| SMILES | CSCC[C@H](NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)CNC(=O)[C@H](CCSC)NC(=O)[C@H](CC1=CC=C(OS(=O)(=O)O)C=C1)NC(=O)[C@H](CC(=O)O)NC(C)=O)C(N)=O |
| InChI Key | CAZXCDOBKJYAJQ-QKUYTOGTSA-N |
| Synonym | N-ACETYL CCK, (26-31), SULFATED;N-ACETYL CHOLECYSTOKININ, (26-31), SULFATED;N-ACETYL-CHOLECYSTOKININ AC-[TYR(SO3H)27]-FRAGMENT 26-31 AMIDE;3-acetamido-4-[[1-[[1-[[2-[[1-[(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxo-3-(4-sulfooxyphenyl)propan-2-yl]amino]-4-oxobutanoic acid;N-Acetyl Cholecystokinin, CCK (26-31), Sulfated;CCK (26-31) (sulfated);AC-ASP-TYR(SO3H)-MET-GLY-TRP-MET-NH2;ACETYL-ASP-TYR[SO3H]-MET-GLY-TRP-MET-NH2 |
| CAS No. | 89911-65-9 |
Synthetic Route by SureRoute
2. ACEPUT583 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
(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