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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name GGTI-2133 free base(1+)
ChEBI ID CHEBI:101333
Definition An organic cation obtained by protonation of GGTI-2133 free base.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C27H29N4O3
Net Charge +1
Average Mass 457.545
Monoisotopic Mass 457.22342
InChI InChI=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
InChIKey ODTFPKNIFYMEHP-VWLOTQADSA-O
SMILES C([C@H](CC(C)C)NC(=O)C1=C(C=C(C=C1)[NH2+]CC=2NC=NC2)C=3C4=C(C=CC=C4)C=CC3)(O)=O
ChEBI Ontology
Outgoing 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 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 cation ChEBI
Last Modified
01 April 2016