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CHEBI:189655 - PS3061

Default Structure
ChEBI IDCHEBI:189655
ChEBI NamePS3061
Stars
Submitterjinyangd
DownloadsMolfile
FormulaC53H75BrN8O8
Net Charge0
Average Mass1032.135
Monoisotopic Mass1030.48912
SMILES[H]c1c([H])c(C([H])([H])n2c([H])c(C([H])([H])C3([H])C(=O)N([H])C([H])(C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C(=O)N(C([H])([H])[H])C([H])(C([H])([H])[H])C(=O)OC([H])(C([H])([H])C([H])([H])C#N)C(=O)N([H])C([H])(C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C(=O)N(C([H])([H])[H])C([H])(C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C(=O)N([H])C([H])(C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C(=O)N3C([H])([H])[H])c3c([H])c([H])c([H])c([H])c32)c([H])c([H])c1Br
InChIInChI=1S/C53H75BrN8O8/c1-31(2)24-40-50(66)59(10)35(9)53(69)70-46(18-15-23-55)49(65)58-42(26-33(5)6)52(68)60(11)44(27-34(7)8)47(63)57-41(25-32(3)4)51(67)61(12)45(48(64)56-40)28-37-30-62(43-17-14-13-16-39(37)43)29-36-19-21-38(54)22-20-36/h13-14,16-17,19-22,30-35,40-42,44-46H,15,18,24-29H2,1-12H3,(H,56,64)(H,57,63)(H,58,65)
InChIKeyYYGUUQZMWURKTR-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
PS3061 (CHEBI:189655) is a organic molecular entity (CHEBI:50860)
Manual XrefsDatabases
146047984ChemIDplus