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Psammaplin D
SpectraBase Compound ID 1XGepdnKV9C
InChI InChI=1S/C15H20BrN3O5S2/c1-24-15(22)18-5-7-26-25-6-4-17-14(21)12(19-23)9-10-2-3-13(20)11(16)8-10/h2-3,8,20,23H,4-7,9H2,1H3,(H,17,21)(H,18,22)/b19-12+
InChIKey QBAGBBYBQAYFBT-XDHOZWIPSA-N
Mol Weight 466.37 g/mol
Molecular Formula C15H20BrN3O5S2
Exact Mass 465.002776 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6FkKX2HM2yS
Name Psammaplin D
Alternate Name(s) Methyl N-[2-[2-[[(2E)-3-(3-bromanyl-4-oxidanyl-phenyl)-2-hydroxyimino-propanoyl]amino]ethyldisulfanyl]ethyl]carbamate Methyl N-[2-[2-[[(2E)-3-(3-bromo-4-hydroxy-phenyl)-2-hydroxyimino-propanoyl]amino]ethyldisulfanyl]ethyl]carbamate N-[2-[2-[[(2E)-3-(3-bromo-4-hydroxy-phenyl)-2-hydroximino-propanoyl]amino]ethyldisulfanyl]ethyl]carbamic acid methyl ester N-[2-[2-[[(2E)-3-(3-bromo-4-hydroxyphenyl)-2-hydroxyimino-1-oxopropyl]amino]ethyldisulfanyl]ethyl]carbamic acid methyl ester
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Formula C15H20BrN3O5S2
InChI InChI=1S/C15H20BrN3O5S2/c1-24-15(22)18-5-7-26-25-6-4-17-14(21)12(19-23)9-10-2-3-13(20)11(16)8-10/h2-3,8,20,23H,4-7,9H2,1H3,(H,17,21)(H,18,22)/b19-12+
InChIKey QBAGBBYBQAYFBT-XDHOZWIPSA-N
Molecular Weight 466.365 g/mol
SMILES N(C(\C(Cc1ccc(c(c1)Br)O)=N/O)=O)CCSSCCNC(=O)OC
SPLASH splash10-01q9-0094000000-7a2cc5a78f75e67526e2
Source of Spectrum F-47-2101-5
Wiley ID 1391678