Chx-A dtpa

2-[[(1R)-2-[bis(carboxymethyl)amino]cyclohexyl]-[(2S)-2-[bis(carboxymethyl)amino]-3-(4-isothiocyanatophenyl)propyl]amino]acetic acid

Also Known As: Chx-A dtpa|Scn-Bz-chx-dtpa|Scn-chx-B|Chx-A'|Chx-B dtpa|Chx-B'|2-(p-Scn-Bz)-cyclohexyl-dtpa|2-(p-Isothiocyanatobenzyl)-cyclohexyl-dtpa|n-{(1r)-2-[bis(carboxymethyl)amino]cyclohexyl}-n-[(2s)-2-[bis(carboxymethyl)amino]-3-(4-isothiocyanatophenyl)propyl]glycine|(1alpha(S*),2beta)-(+-)-N-(2-(Bis(carbonymethyl)amino)cyclohexyl)-N-(2-(bis(carboxymethyl)amino)-3-(4-isothiocyanatophenyl)propyl)glycine|N-(2-Amino-3-(4-isothiocyanatophenyl)propyl)cyclohexane-1,2-diamine-N,N',N',N'',N''-pentaacetic acid|2-[[(1R)-2-[bis(carboxymethyl)amino]cyclohexyl]-[(2S)-2-[bis(carboxymethyl)amino]-3-(4-isothiocyanatophenyl)propyl]amino]acetic 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

Molecular Formula	C26H34N4O10S
Molecular Weight	594.1996 g/mol
LogP	-3.8
Topological Polar Surface Area	241.0 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	15
Rotatable Bonds	18
Exact Mass	594.1996
Monoisotopic Mass	594.1996
Heavy Atoms	41
Complexity	951.0

Chemical Identifiers

CAS Number	2437-30-1
SMILES	C1CCC([C@@H](C1)N(C[C@H](CC2=CC=C(C=C2)N=C=S)N(CC(=O)O)CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O
InChIKey	QZVREUUCWLULJM-MCOCGALXSA-N