2-[[(2S)-2-[bis(carboxymethyl)amino]-3-[4-[[2-[[4-[2-[4-(2,5-dioxopyrrol-1-yl)-4-oxobutanoyl]oxyethoxy]-4-oxobutanoyl]amino]acetyl]amino]phenyl]propyl]-(2-hydroxyethyl)amino]acetic acid
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![2-[[(2S)-2-[bis(carboxymethyl)amino]-3-[4-[[2-[[4-[2-[4-(2,5-dioxopyrrol-1-yl)-4-oxobutanoyl]oxyethoxy]-4-oxobutanoyl]amino]acetyl]amino]phenyl]propyl]-(2-hydroxyethyl)amino]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/794479b766f6475e9fa9255a8b3fdd7e.png "2-[[(2S)-2-[bis(carboxymethyl)amino]-3-[4-[[2-[[4-[2-[4-(2,5-dioxopyrrol-1-yl)-4-oxobutanoyl]oxyethoxy]-4-oxobutanoyl]amino]acetyl]amino]phenyl]propyl]-(2-hydroxyethyl)amino]acetic acid")
2-[[(2S)-2-[bis(carboxymethyl)amino]-3-[4-[[2-[[4-[2-[4-(2,5-dioxopyrrol-1-yl)-4-oxobutanoyl]oxyethoxy]-4-oxobutanoyl]amino]acetyl]amino]phenyl]propyl]-(2-hydroxyethyl)amino]acetic acid
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CAS No:
112028-42-9
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Formula:
C33H41N5O16
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Chemical Name:
2-[[(2S)-2-[bis(carboxymethyl)amino]-3-[4-[[2-[[4-[2-[4-(2,5-dioxopyrrol-1-yl)-4-oxobutanoyl]oxyethoxy]-4-oxobutanoyl]amino]acetyl]amino]phenyl]propyl]-(2-hydroxyethyl)amino]acetic acid
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Synonyms:
EGS-HED3A;ethyleneglycol bis(succinimidyl succinate)hydroxyethylethylenediamine triacetic acid;112028-42-9;Egs-hed3A;Ethyleneglycol bis(succinimidyl succinate)hydroxyethylethylenediamine triacetic acid;DTXSID60920654;Glycine, N-(2-(bis(carboxymethyl)amino)-3-(4-((((4-(2-(4-(2,5-dihydro-2,5-dioxy-1H-pyrrol-1-yl)-1,4-dioxobutoxy)ethoxy)-1,4-dioxobutyl)amino)acetyl)amino)phenyl)propyl)-N-(2-hydroxyethyl)-, (S)-;N-{2-[Bis(carboxymethyl)amino]-3-[4-({N-[4-(2-{[4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-4-oxobutanoyl]oxy}ethoxy)-1-hydroxy-4-oxobutylidene]glycyl}amino)phenyl]propyl}-N-(2-hydroxyethyl)glycine
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CAS No:
2-[[(2S)-2-[bis(carboxymethyl)amino]-3-[4-[[2-[[4-[2-[4-(2,5-dioxopyrrol-1-yl)-4-oxobutanoyl]oxyethoxy]-4-oxobutanoyl]amino]acetyl]amino]phenyl]propyl]-(2-hydroxyethyl)amino]acetic acid Basic Attributes
763.7 g/mol
763.25483024 g/mol
Computed Properties
Molecular Weight:763.7
XLogP3:-7.1
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:18
Rotatable Bond Count:27
Exact Mass:763.25483024
Monoisotopic Mass:763.25483024
Topological Polar Surface Area:304
Heavy Atom Count:54
Complexity:1390
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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