AC1N5SK8
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
Also Known As: CCK (26-31) (sulfated)|Acetyl-[Tyr(SO3H)27]-Cholecystokinin 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|AC-ASP-TYR(SO3H)-MET-GLY-TRP-MET-NH2|N-Acetyl-alpha-aspartyl-O-sulfotyrosylmethionylglycyltryptophylmethioninamide|Acetyl-[Tyr(SO3H)27]-Cholecystokinin fragment 26-31 Amide, >=97% (HPLC)
| Molecular Formula | C38H50N8O13S3 |
|---|---|
| Molecular Weight | 922.2659 g/mol |
| LogP | -0.839 |
| Topological Polar Surface Area | 334.38 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 26 |
| Exact Mass | 922.2659 |
| Monoisotopic Mass | 922.2659 |
| Heavy Atoms | 62 |
| Complexity | 2171.2507 |
Chemical Identifiers
| CAS Number | 89911-65-9 |
|---|---|
| SMILES | CC(=O)NC(CC(=O)O)C(=O)NC(CC1=CC=C(C=C1)OS(=O)(=O)O)C(=O)NC(CCSC)C(=O)NCC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NC(CCSC)C(=O)N |
Product Overview
AC1N5SK8 (CAS 89911-65-9), with molecular formula C38H50N8O13S3 and molecular weight 922.2659 g/mol. IUPAC: 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.