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 No supplier information found for this compound.
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