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(2R)-N-{(2S)-2-{[bis(Methylthio)methylidene]amino}-8-iodooctan-1-oyl}-bornane-10,2-sultam
SpectraBase Compound ID K6kWp4Dzd2z
InChI InChI=1S/C21H35IN2O3S3/c1-20(2)15-10-11-21(20)14-30(26,27)24(17(21)13-15)18(25)16(23-19(28-3)29-4)9-7-5-6-8-12-22/h15-17H,5-14H2,1-4H3/t15-,16-,17+,21-/m0/s1
InChIKey PYBXZRJKRFLPMQ-OPOADAIRSA-N
Mol Weight 586.6 g/mol
Molecular Formula C21H35IN2O3S3
Exact Mass 586.085452 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AWWNaUKvJBK
Name (2R)-N-{(2S)-2-{[bis(Methylthio)methylidene]amino}-8-iodooctan-1-oyl}-bornane-10,2-sultam
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Formula C21H35IN2O3S3
InChI InChI=1S/C21H35IN2O3S3/c1-20(2)15-10-11-21(20)14-30(26,27)24(17(21)13-15)18(25)16(23-19(28-3)29-4)9-7-5-6-8-12-22/h15-17H,5-14H2,1-4H3/t15-,16-,17+,21-/m0/s1
InChIKey PYBXZRJKRFLPMQ-OPOADAIRSA-N
Molecular Weight 586.606 g/mol
SMILES [C@@]12(N(S(C[C@]11C([C@](C2)(CC1)[H])(C)C)(=O)=O)C([C@@](N=C(SC)SC)(CCCCCCI)[H])=O)[H]
SPLASH splash10-000l-5824290000-964439bc60548bca3f0f
Source of Spectrum H-77-2375-3
Synonyms Dimethyl (1S)-1-{[(5R)-10,10-dimethyl-3,3-dioxido-3-thia-4-azatricyclo[5.2.1.0(1,5)]dec-4-yl]carbonyl}-7-iodoheptyldithioimidocarbonate
Wiley ID 1408987