For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(2R)-N-{(2S)-6-[N-(Benzyloxy0-N-acetylamino]-2-{bis(methylthio)methylidene]amino}hexanoyl}-bornane-10,2-sultam
SpectraBase Compound ID IxpT174dlQz
InChI InChI=1S/C28H41N3O5S3/c1-20(32)30(36-18-21-11-7-6-8-12-21)16-10-9-13-23(29-26(37-4)38-5)25(33)31-24-17-22-14-15-28(24,27(22,2)3)19-39(31,34)35/h6-8,11-12,22-24H,9-10,13-19H2,1-5H3/t22-,23?,24-,28-/m0/s1
InChIKey GURREFSNXVGBOC-MWHKLVDGSA-N
Mol Weight 595.8 g/mol
Molecular Formula C28H41N3O5S3
Exact Mass 595.220835 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 2KkU5SLaD3J
Name (2R)-N-{(2S)-6-[N-(Benzyloxy0-N-acetylamino]-2-{bis(methylthio)methylidene]amino}hexanoyl}-bornane-10,2-sultam
Alternate Name(s) Dimethyl 5-[acetyl(benzyloxy)amino]-1-[(10,10-dimethyl-3,3-dioxido-3-thia-4-azatricyclo[5.2.1.0(1,5)]dec-4-yl)carbonyl]pentyldithioimidocarbonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H41N3O5S3
InChI InChI=1S/C28H41N3O5S3/c1-20(32)30(36-18-21-11-7-6-8-12-21)16-10-9-13-23(29-26(37-4)38-5)25(33)31-24-17-22-14-15-28(24,27(22,2)3)19-39(31,34)35/h6-8,11-12,22-24H,9-10,13-19H2,1-5H3/t22-,23?,24-,28-/m0/s1
InChIKey GURREFSNXVGBOC-MWHKLVDGSA-N
Molecular Weight 595.832 g/mol
SMILES [C@]12(N(S(C[C@]11C([C@](C2)(CC1)[H])(C)C)(=O)=O)C(C(N=C(SC)SC)CCCCN(C(=O)C)OCc1ccccc1)=O)[H]
SPLASH splash10-0006-9000000000-3470ee3fb763bc2880d3
Source of Spectrum H-77-2377-9
Wiley ID 1409735