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N-{2-[Bis(carboxymethyl)amino]cyclohexyl}-N-{2-[bis(carboxymethyl)amino]-3-(4-isothiocyanatophenyl)propyl}glycine

HCID 164445
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Basic information

CAS
142434-84-2
Standard SMILES
O=C(O)CN(CC(=O)O)C1CCCC[C@H]1N(CC(=O)O)C[C@H](Cc1ccc(N=C=S)cc1)N(CC(=O)O)CC(=O)O
InChIKey
QZVREUUCWLULJM-MCOCGALXSA-N
Molecular formula
C26H34N4O10S
Average molar mass
594.643 g/mol
Monoisotopic mass
594.19956429

Names & identifiers

Preferred name
N-{2-[Bis(carboxymethyl)amino]cyclohexyl}-N-{2-[bis(carboxymethyl)amino]-3-(4-isothiocyanatophenyl)propyl}glycine
IUPAC
N-{(1R)-2-[Bis(carboxymethyl)amino]cyclohexyl}-N-[(2S)-2-[bis(carboxymethyl)amino]-3-(4-isothiocyanatophenyl)propyl]glycine
English name
N-(2-amino-3-(4-isothiocyanatophenyl)propyl)cyclohexane-1,2-diamine-N,N',N',N'',N''-pentaacetic acid
Molecular formula
C26H34N4O10S
Molecular weight
594.63396

Names & synonyms

N-(2-amino-3-(4-isothiocyanatophenyl)propyl)cyclohexane-1,2-diamine-N,N',N',N'',N''-pentaacetic acid

Database identifiers

CAS
142434-84-2
PubChem CID
164445
DTXSID
DTXSID80931449

Chemistry & industry

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CHEMICAL LAND21[email protected]

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