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CHEBI:138828 - Anatibant

ChEBI IDCHEBI:138828
ChEBI NameAnatibant
Stars
Last Modified25 October 2017
Submittermwilliams
DownloadsMolfile
FormulaC34H36Cl2N6O5S
Net Charge0
Average Mass711.672
Monoisotopic Mass710.18449
SMILESCc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)N4CCC[C@H]4C(=O)NCCCNC(=O)c4ccc(C(=N)N)cc4)c3Cl)c2n1
InChIInChI=1S/C34H36Cl2N6O5S/c1-20-18-21(2)41-31-24(20)6-3-8-28(31)47-19-25-26(35)13-14-29(30(25)36)48(45,46)42-17-4-7-27(42)34(44)40-16-5-15-39-33(43)23-11-9-22(10-12-23)32(37)38/h3,6,8-14,18,27H,4-5,7,15-17,19H2,1-2H3,(H3,37,38)(H,39,43)(H,40,44)/t27-/m0/s1
InChIKeyXUHBBTKJWIBQMY-MHZLTWQESA-N
ChEBI Ontology
Outgoing Relation(s)
Anatibant (CHEBI:138828) is a proline derivative (CHEBI:26273)
Synonym  Source
LF 16-0687KEGG COMPOUND
Manual XrefsDatabases
C20010KEGG COMPOUND