alpha-Ethyl-2,4,6-triiodo-3-[[1-oxo-6-[(1,4,7,10-tetraazacyclododec-1-yl-acetyl)amino]hexyl]amino]benzenepropanoic acid (HCID 22921393)

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Basic information

Standard SMILES: CCC(Cc1c(I)cc(I)c(NC(=O)CCCCCNC(=O)CN2CCNCCNCCNCC2)c1I)C(=O)O
InChIKey: NECQIAQUBZCNIQ-UHFFFAOYSA-N
Molecular formula: C27H43I3N6O4
Average molar mass: 896.4 g/mol
Monoisotopic mass: 896.048

Names & identifiers

Preferred name: alpha-Ethyl-2,4,6-triiodo-3-[[1-oxo-6-[(1,4,7,10-tetraazacyclododec-1-yl-acetyl)amino]hexyl]amino]benzenepropanoic acid
IUPAC: 2-[[2,4,6-triiodo-3-[6-[[2-(1,4,7,10-tetrazacyclododec-1-yl)acetyl]amino]hexanoylamino]phenyl]methyl]butanoic acid

Names & synonyms

SCHEMBL8200182NECQIAQUBZCNIQ-UHFFFAOYSA-Nalpha-ethyl-2,4,6-triiodo-3-[[1-oxo-6-[(1,4,7,10-tetraazacyclododec-1-yl-acetyl)amino]hexyl]amino]benzenepropanoic acid