2-[[(1R)-2-[bis(carboxymethyl)amino]cyclohexyl]-[(2S)-2-[bis(carboxymethyl)amino]-3-(4-isothiocyanatophenyl)propyl]amino]acetic acid
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![2-[[(1R)-2-[bis(carboxymethyl)amino]cyclohexyl]-[(2S)-2-[bis(carboxymethyl)amino]-3-(4-isothiocyanatophenyl)propyl]amino]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/595c197df2ea4e4eb4b8368203c16e7c.png "2-[[(1R)-2-[bis(carboxymethyl)amino]cyclohexyl]-[(2S)-2-[bis(carboxymethyl)amino]-3-(4-isothiocyanatophenyl)propyl]amino]acetic acid")
2-[[(1R)-2-[bis(carboxymethyl)amino]cyclohexyl]-[(2S)-2-[bis(carboxymethyl)amino]-3-(4-isothiocyanatophenyl)propyl]amino]acetic acid
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CAS No:
142434-84-2
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Formula:
C26H34N4O10S
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Chemical Name:
2-[[(1R)-2-[bis(carboxymethyl)amino]cyclohexyl]-[(2S)-2-[bis(carboxymethyl)amino]-3-(4-isothiocyanatophenyl)propyl]amino]acetic acid
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Synonyms:
(1alpha(R*),2beta)-(+-) of N-(2-amino-3-(4-isothiocyanatophenyl)propyl)cyclohexane-1,2-diamine-N,N',N',N'',N''-pentaacetic acid;2-(p-isothiocyanatobenzyl)-cyclohexyl-DTPA;2-(p-SCN-Bz)-cyclohexyl-DTPA;CHX-A DTPA;CHX-A';CHX-A'';CHX-B DTPA;CHX-B';CHX-B'';N-(2-amino-3-(4-isothiocyanatophenyl)propyl)cyclohexane-1,2-diamine-N,N',N',N'',N''-pentaacetic acid;SCN-Bz-CHX-DTPA;SCN-CHX-B;142434-84-2;Chx-A';Scn-Bz-chx-dtpa;Chx-A dtpa;Scn-chx-B;2-(p-Scn-Bz)-cyclohexyl-dtpa;2-(p-Isothiocyanatobenzyl)-cyclohexyl-dtpa;DTXSID80931449;(1alpha(S*),2beta)-(+-)-N-(2-(Bis(carbonymethyl)amino)cyclohexyl)-N-(2-(bis(carboxymethyl)amino)-3-(4-isothiocyanatophenyl)propyl)glycine;2-[[(1R)-2-[bis(carboxymethyl)amino]cyclohexyl]-[(2S)-2-[bis(carboxymethyl)amino]-3-(4-isothiocyanatophenyl)propyl]amino]acetic acid;N-(2-Amino-3-(4-isothiocyanatophenyl)propyl)cyclohexane-1,2-diamine-N,N',N',N'',N''-pentaacetic acid;Glycine, N-(2-(bis(carbonymethyl)amino)cyclohexyl)-N-(2-(bis(carboxymethyl)amino)-3-(4-isothiocyanatophenyl)propyl)-, (1alpha(S*),2beta)-(+-)-;N-{2-[Bis(carboxymethyl)amino]cyclohexyl}-N-{2-[bis(carboxymethyl)amino]-3-(4-isothiocyanatophenyl)propyl}glycine
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CAS No:
2-[[(1R)-2-[bis(carboxymethyl)amino]cyclohexyl]-[(2S)-2-[bis(carboxymethyl)amino]-3-(4-isothiocyanatophenyl)propyl]amino]acetic acid Basic Attributes
594.6 g/mol
594.19956447 g/mol
Drug Information
(1alpha(R*),2beta)-(+-) of N-(2-amino-3-(4-isothiocyanatophenyl)propyl)cyclohexane-1,2-diamine-N,N',N',N'',N''-pentaacetic acid
Computed Properties
Molecular Weight:594.6
XLogP3:-3.8
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:18
Exact Mass:594.19956447
Monoisotopic Mass:594.19956447
Topological Polar Surface Area:241
Heavy Atom Count:41
Complexity:951
Defined Atom Stereocenter Count:2
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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