Butodicin
ethyl 2-[[2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]acetyl]amino]acetate
Also Known As: Butodicin|J1.606.023B|ethyl 2-[[2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]acetyl]|Ethyl 2-[[2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]acetyl]amino]acetate|Ethyl N-{5-[(7H-purin-6-yl)sulfanyl]pentanoyl}glycylglycinate|ethyl 2-{2-[5-(1H-purin-6-ylsulfanyl)pentanamido]acetamido}acetate|Glycine,n-[1-oxo-5-(9h-purin-6-ylthio)pentyl]glycyl-, ethyl ester|N-[N-[5-[(1H-Purine-6-yl)thio]pentanoyl]glycyl]glycine ethyl ester
| Molecular Formula | C16H22N6O4S |
|---|---|
| Molecular Weight | 394.14233 g/mol |
| LogP | 0.4108 |
| Topological Polar Surface Area | 138.96 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 394.14233 |
| Monoisotopic Mass | 394.14233 |
| Heavy Atoms | 27 |
| Complexity | 781.1112 |
Chemical Identifiers
| CAS Number | 22181-95-9 |
|---|---|
| SMILES | CCOC(=O)CNC(=O)CNC(=O)CCCCSC1=NC=NC2=C1NC=N2 |
Product Overview
Butodicin (CAS 22181-95-9), with molecular formula C16H22N6O4S and molecular weight 394.14233 g/mol. IUPAC: ethyl 2-[[2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]acetyl]amino]acetate.
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