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(2R)-N-{(2S)-2-{[bis(Methylthio)methylidene]amino}-7-iodoheptan-1-oyl}-bornane-10,2-sultam

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(2R)-N-{(2S)-2-{[bis(Methylthio)methylidene]amino}-7-iodoheptan-1-oyl}-bornane-10,2-sultam
SpectraBase Compound ID EDAY3kY8kRg
InChI InChI=1S/C20H33IN2O3S3/c1-19(2)14-9-10-20(19)13-29(25,26)23(16(20)12-14)17(24)15(8-6-5-7-11-21)22-18(27-3)28-4/h14-16H,5-13H2,1-4H3/t14-,15-,16+,20-/m0/s1
InChIKey HIIVVMKCZFPIHO-MFCZKXCZSA-N
Mol Weight 572.6 g/mol
Molecular Formula C20H33IN2O3S3
Exact Mass 572.069801 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Inz8O0kHaV
Name (2R)-N-{(2S)-2-{[bis(Methylthio)methylidene]amino}-7-iodoheptan-1-oyl}-bornane-10,2-sultam
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 572.069801450 u
Formula C20H33IN2O3S3
InChI InChI=1S/C20H33IN2O3S3/c1-19(2)14-9-10-20(19)13-29(25,26)23(16(20)12-14)17(24)15(8-6-5-7-11-21)22-18(27-3)28-4/h14-16H,5-13H2,1-4H3/t14-,15-,16+,20-/m0/s1
InChIKey HIIVVMKCZFPIHO-MFCZKXCZSA-N
Molecular Weight 572.579 g/mol
SMILES [C@@]12(N(S(C[C@]11C([C@](C2)(CC1)[H])(C)C)(=O)=O)C([C@@](N=C(SC)SC)(CCCCCI)[H])=O)[H]