EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:44136 - N-{(1S)-1-{[4-(3-aminopropyl)piperazin-1-yl]carbonyl}-4-[(diaminomethylene)amino]butyl}-3-(trifluoromethyl)benzenesulfonamide

Default Structure
ChEBI IDCHEBI:44136
ChEBI NameN-{(1S)-1-{[4-(3-aminopropyl)piperazin-1-yl]carbonyl}-4-[(diaminomethylene)amino]butyl}-3-(trifluoromethyl)benzenesulfonamide
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC20H32F3N7O3S
Net Charge0
Average Mass507.583
Monoisotopic Mass507.22394
SMILES[H]c1c([H])c(C(F)(F)F)c([H])c(S(=O)(=O)N([H])[C@]([H])(C(=O)N2C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])C([H])([H])N([H])[H])C([H])([H])C2([H])[H])C([H])([H])C([H])([H])C([H])([H])N=C(N([H])[H])N([H])[H])c1[H]
InChIInChI=1S/C20H32F3N7O3S/c21-20(22,23)15-4-1-5-16(14-15)34(32,33)28-17(6-2-8-27-19(25)26)18(31)30-12-10-29(11-13-30)9-3-7-24/h1,4-5,14,17,28H,2-3,6-13,24H2,(H4,25,26,27)/t17-/m0/s1
InChIKeyKGJKWHCPJPBEJP-KRWDZBQOSA-N
ChEBI Ontology
Outgoing Relation(s)
N-{(1S)-1-{[4-(3-aminopropyl)piperazin-1-yl]carbonyl}-4-[(diaminomethylene)amino]butyl}-3-(trifluoromethyl)benzenesulfonamide (CHEBI:44136) is a unclassifieds (CHEBI:27189)
Synonyms  Source
N-{(1S)-1-{[4-(3-aminopropyl)piperazin-1-yl]carbonyl}-4-[(diaminomethylene)amino]butyl}-3-(trifluoromethyl)benzenesulfonamidePDBeChem
N-{(1S)-1-{[4-(3-aminopropyl)piperazin-1-yl]carbonyl}-4-[(diaminomethylidene)amino]butyl}-3-(trifluoromethyl)benzenesulfonamidePDBeChem
Manual XrefsDatabases
MIUPDBeChem