CHEBI:189652 - MZ1

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name MZ1
ChEBI ID CHEBI:189652
Stars This entity has been manually annotated by a third party.
Submitter Jinyang Du
Supplier Information
Download Molfile XML SDF
Formula C49H60ClN9O8S2
Net Charge 0
Average Mass 1002.640
Monoisotopic Mass 1001.36948
InChI InChI=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
InChIKey PTAMRJLIOCHJMQ-PYNGZGNASA-N
SMILES ClC1=C(C(=C(C2=N[C@](C=3N(C=4SC(=C(C42)C([H])([H])[H])C([H])([H])[H])C(=NN3)C([H])([H])[H])(C(C(=O)N(C(C(OC(C(OC(C(OC(C(=O)N([C@@](C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])(C(=O)N5[C@@](C([C@@](O[H])(C5([H])[H])[H])([H])[H])(C(=O)N(C(C6=C(C(=C(C(=C6[H])[H])C=7SC(=NC7C([H])([H])[H])[H])[H])[H])([H])[H])[H])[H])[H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])[H])([H])[H])[H])C(=C1[H])[H])[H])[H]
ChEBI Ontology
Outgoing MZ1 (CHEBI:189652) is a organic molecular entity (CHEBI:50860)
Manual Xref Database
122201421 ChemIDplus accession
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