2-[2-[bis(carboxymethyl)amino]ethyl-[(2S)-2-[bis(carboxymethyl)amino]-3-(4-isothiocyanatophenyl)propyl]amino]acetic acid
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![2-[2-[bis(carboxymethyl)amino]ethyl-[(2S)-2-[bis(carboxymethyl)amino]-3-(4-isothiocyanatophenyl)propyl]amino]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/96778dd86f374fc2af91ccb606695bf5.png "2-[2-[bis(carboxymethyl)amino]ethyl-[(2S)-2-[bis(carboxymethyl)amino]-3-(4-isothiocyanatophenyl)propyl]amino]acetic acid")
2-[2-[bis(carboxymethyl)amino]ethyl-[(2S)-2-[bis(carboxymethyl)amino]-3-(4-isothiocyanatophenyl)propyl]amino]acetic acid
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CAS No:
102650-30-6
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Formula:
C22H28N4O10S
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Chemical Name:
2-[2-[bis(carboxymethyl)amino]ethyl-[(2S)-2-[bis(carboxymethyl)amino]-3-(4-isothiocyanatophenyl)propyl]amino]acetic acid
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Synonyms:
Glycine,N-(2-((2-(bis(carboxymethyl)amino)ethyl)(carboxymethyl)amino)-1-((4-isothiocyanatophenyl)methyl)ethyl)-N-(carboxymethyl)-,(S); 1-(4-Isothiocyanatobenzyl)diethylenetriaminepentaacetic acid; Scn-Bz-dtpa;
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CAS No:
2-[2-[bis(carboxymethyl)amino]ethyl-[(2S)-2-[bis(carboxymethyl)amino]-3-(4-isothiocyanatophenyl)propyl]amino]acetic acid Basic Attributes
540.54400
540.15261428 g/mol
5H79013Y15
DTXSID90145439
Computed Properties
Molecular Weight:540.5
XLogP3:-5.1
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:19
Exact Mass:540.15261428
Monoisotopic Mass:540.15261428
Topological Polar Surface Area:241
Heavy Atom Count:37
Complexity:826
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Latest News on 2-[2-[bis(carboxymethyl)amino]ethyl-[(2S)-2-[bis(carboxymethyl)amino]-3-(4-isothiocyanatophenyl)propyl]amino]acetic acid
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