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(2R)-N-{(2S)-6-Benzyloxy-2-{[bis(methylthio) methylidene]amino}hex-4-en-1-oyl}-bornane-10,2-sultam

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(2R)-N-{(2S)-6-Benzyloxy-2-{[bis(methylthio) methylidene]amino}hex-4-en-1-oyl}-bornane-10,2-sultam
SpectraBase Compound ID HBgexr8Lx6D
InChI InChI=1S/C26H36N2O4S3/c1-25(2)20-13-14-26(25)18-35(30,31)28(22(26)16-20)23(29)21(27-24(33-3)34-4)12-8-9-15-32-17-19-10-6-5-7-11-19/h5-11,20-22H,12-18H2,1-4H3/b9-8+/t20-,21-,22+,26-/m0/s1
InChIKey RDFNCBFRTUOENG-PRPNLQDDSA-N
Mol Weight 536.8 g/mol
Molecular Formula C26H36N2O4S3
Exact Mass 536.183721 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 69rvM9BcUao
Name (2R)-N-{(2S)-6-Benzyloxy-2-{[bis(methylthio) methylidene]amino}hex-4-en-1-oyl}-bornane-10,2-sultam
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 536.183721165 u
Formula C26H36N2O4S3
InChI InChI=1S/C26H36N2O4S3/c1-25(2)20-13-14-26(25)18-35(30,31)28(22(26)16-20)23(29)21(27-24(33-3)34-4)12-8-9-15-32-17-19-10-6-5-7-11-19/h5-11,20-22H,12-18H2,1-4H3/b9-8+/t20-,21-,22+,26-/m0/s1
InChIKey RDFNCBFRTUOENG-PRPNLQDDSA-N
Molecular Weight 536.764 g/mol
SMILES [C@@]12(N(S(C[C@]11C([C@](C2)(CC1)[H])(C)C)(=O)=O)C([C@@](N=C(SC)SC)(C\C=C\COCC=1C=CC=CC1)[H])=O)[H]