Ethyleneglycol bis(succinimidyl succinate)hydroxyethylethylenediamine triacetic acid
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Basic information
- CAS
112028-42-9- Standard SMILES
O=C(O)CN(CCO)C[C@H](Cc1ccc(NC(=O)CNC(=O)CCC(=O)OCCOC(=O)CCC(=O)N2C(=O)C=CC2=O)cc1)N(CC(=O)O)CC(=O)O- InChIKey
YVWHQQRSCBAMFB-QHCPKHFHSA-N- Molecular formula
- C33H41N5O16
- Average molar mass
- 763.7 g/mol
- Monoisotopic mass
- 763.25483024
Overview
enzyme metabolizable bifunctional chelate to which monoclonal antibodies can be attached
Names & identifiers
- Preferred name
- Ethyleneglycol bis(succinimidyl succinate)hydroxyethylethylenediamine triacetic acid
- IUPAC
- 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
- English name
- ethyleneglycol bis(succinimidyl succinate)hydroxyethylethylenediamine triacetic acid
- Molecular formula
- C33H41N5O16
- Molecular weight
- 763.7
Names & synonyms
Egs-hed3A112028-42-9Ethyleneglycol bis(succinimidyl succinate)hydroxyethylethylenediamine triacetic acidRefChem:139154DTXSID60920654Glycine, 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-{(2S)-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)glycineN-{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)glycineGlycine, N-[2-[bis(carboxymethyl)amino]-3-[4-[[[[4-[2-[4-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1,4-dioxobutoxy]ethoxy]-1,4-dioxobutyl]amino]acetyl]amino]phenyl]propyl]-N-(2-hydroxyethyl)-, (S)- (9CI)
Database identifiers
- CAS
Properties
Computed structural propertiesFilling in
- XLogP
- -7.1
- Topological polar surface area
- 304 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 27
- Heavy atoms
- 54
- Formal charge
- 0
- Complexity
- 1,390
Related reactions
0 records
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Compound notes
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