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CHEBI:189651 - dBET6

Default Structure
ChEBI IDCHEBI:189651
ChEBI NamedBET6
Stars
Submitterjinyangd
DownloadsMolfile
FormulaC42H45ClN8O7S
Net Charge0
Average Mass841.391
Monoisotopic Mass840.28204
SMILES[H]c1c([H])c(OC([H])([H])C(=O)N([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=O)C([H])([H])[C@]2([H])N=C(c3c([H])c([H])c(Cl)c([H])c3[H])c3c(sc(C([H])([H])[H])c3C([H])([H])[H])-n3c(C([H])([H])[H])nnc32)c2c(c1[H])C(=O)N(C1([H])C(=O)N([H])C(=O)C([H])([H])C1([H])[H])C2=O
InChIInChI=1S/C42H45ClN8O7S/c1-23-24(2)59-42-35(23)37(26-13-15-27(43)16-14-26)46-29(38-49-48-25(3)50(38)42)21-33(53)44-19-8-6-4-5-7-9-20-45-34(54)22-58-31-12-10-11-28-36(31)41(57)51(40(28)56)30-17-18-32(52)47-39(30)55/h10-16,29-30H,4-9,17-22H2,1-3H3,(H,44,53)(H,45,54)(H,47,52,55)/t29-,30?/m0/s1
InChIKeyJGQPZPLJOBHHBK-UFXYQILXSA-N
ChEBI Ontology
Outgoing Relation(s)
dBET6 (CHEBI:189651) is a organic molecular entity (CHEBI:50860)
Manual XrefsDatabases
121427831ChemIDplus