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CHEBI:101333 - GGTI-2133 free base(1+)

ChEBI IDCHEBI:101333
ChEBI NameGGTI-2133 free base(1+)
Stars
DefinitionAn organic cation obtained by protonation of GGTI-2133 free base.
Last Modified1 April 2016
DownloadsMolfile
FormulaC27H29N4O3
Net Charge+1
Average Mass457.554
Monoisotopic Mass457.22342
SMILESCC(C)C[C@H](NC(=O)c1ccc([NH2+]Cc2cncn2)cc1-c1cccc2ccccc12)C(=O)O
InChIInChI=1S/C27H28N4O3/c1-17(2)12-25(27(33)34)31-26(32)23-11-10-19(29-15-20-14-28-16-30-20)13-24(23)22-9-5-7-18-6-3-4-8-21(18)22/h3-11,13-14,16-17,25,29H,12,15H2,1-2H3,(H,28,30)(H,31,32)(H,33,34)/p+1/t25-/m0/s1
InChIKeyODTFPKNIFYMEHP-VWLOTQADSA-O
ChEBI Ontology
Outgoing Relation(s)
GGTI-2133 free base(1+) (CHEBI:101333) is a ammonium ion derivative (CHEBI:35274)
GGTI-2133 free base(1+) (CHEBI:101333) is a organic cation (CHEBI:25697)
GGTI-2133 free base(1+) (CHEBI:101333) is conjugate acid of GGTI-2133 free base (CHEBI:101257)
Incoming Relation(s)
GGTI-2133 (CHEBI:101279) has part GGTI-2133 free base(1+) (CHEBI:101333)
GGTI-2133 free base (CHEBI:101257) is conjugate base of GGTI-2133 free base(1+) (CHEBI:101333)
IUPAC Name 
4-{[(1S)-1-carboxy-3-methylbutyl]carbamoyl}-N-[(1H-imidazol-4-yl)methyl]-3-(naphthalen-1-yl)anilinium
Synonym  Source
GGTI-2133 free base cationChEBI