N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[(Z)-3-[[(Z)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-methylsulfinylpent-2-en-3-yl]disulfanyl]-5-methylsulfinylpent-2-en-2-yl]formamide
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![N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[(Z)-3-[[(Z)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-methylsulfinylpent-2-en-3-yl]disulfanyl]-5-methylsulfinylpent-2-en-2-yl]formamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/e07a994ab24740abab161aef98765e83.png "N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[(Z)-3-[[(Z)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-methylsulfinylpent-2-en-3-yl]disulfanyl]-5-methylsulfinylpent-2-en-2-yl]formamide")
N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[(Z)-3-[[(Z)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-methylsulfinylpent-2-en-3-yl]disulfanyl]-5-methylsulfinylpent-2-en-2-yl]formamide
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CAS No:
49575-13-5
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Formula:
C26H38N8O4S4
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Chemical Name:
N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[(Z)-3-[[(Z)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-methylsulfinylpent-2-en-3-yl]disulfanyl]-5-methylsulfinylpent-2-en-2-yl]formamide
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Synonyms:
Methylsulfinylethylthiamine-disulfide;
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CAS No:
N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[(Z)-3-[[(Z)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-methylsulfinylpent-2-en-3-yl]disulfanyl]-5-methylsulfinylpent-2-en-2-yl]formamide Basic Attributes
654.89100
654.18988642
Computed Properties
Molecular Weight:654.9
XLogP3:-0.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:15
Exact Mass:654.18988642
Monoisotopic Mass:654.18988642
Topological Polar Surface Area:267
Heavy Atom Count:42
Complexity:939
Undefined Atom Stereocenter Count:2
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
- Hot Searches
- phenacetin drug
- hexanoate
- ipa sds
- fladrafinil
- sulfur trioxide formula
- quinone
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