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CHEBI:189652 - MZ1

ChEBI IDCHEBI:189652
ChEBI NameMZ1
Stars
Submitterjinyangd
DownloadsMolfile
FormulaC49H60ClN9O8S2
Net Charge0
Average Mass1002.661
Monoisotopic Mass1001.36948
SMILES[H]O[C@@]1([H])C([H])([H])N(C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])OC([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)C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])[C@]([H])(C(=O)N([H])C([H])([H])c2c([H])c([H])c(-c3sc([H])nc3C([H])([H])[H])c([H])c2[H])C1([H])[H]
InChIInChI=1S/C49H60ClN9O8S2/c1-28-30(3)69-48-41(28)42(33-12-14-35(50)15-13-33)54-37(45-57-56-31(4)59(45)48)23-39(61)51-16-17-65-18-19-66-20-21-67-26-40(62)55-44(49(5,6)7)47(64)58-25-36(60)22-38(58)46(63)52-24-32-8-10-34(11-9-32)43-29(2)53-27-68-43/h8-15,27,36-38,44,60H,16-26H2,1-7H3,(H,51,61)(H,52,63)(H,55,62)/t36-,37+,38+,44-/m1/s1
InChIKeyPTAMRJLIOCHJMQ-PYNGZGNASA-N
ChEBI Ontology
Outgoing Relation(s)
MZ1 (CHEBI:189652) is a organic molecular entity (CHEBI:50860)
Manual XrefsDatabases
122201421ChemIDplus