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(2R)-N-{(2S)-5-[N-(Benzyloxy)-N-tosylamino]-2-{bis(methylthio)methylidene]amino}pentanoyl}-bornane-10,2-sultam
SpectraBase Compound ID 4dsFF2drmjC
InChI InChI=1S/C32H43N3O6S4/c1-23-13-15-26(16-14-23)45(39,40)34(41-21-24-10-7-6-8-11-24)19-9-12-27(33-30(42-4)43-5)29(36)35-28-20-25-17-18-32(28,31(25,2)3)22-44(35,37)38/h6-8,10-11,13-16,25,27-28H,9,12,17-22H2,1-5H3/t25-,27+,28+,32-/m0/s1
InChIKey SDDMADYGRMVTPB-DLMLISOQSA-N
Mol Weight 694.0 g/mol
Molecular Formula C32H43N3O6S4
Exact Mass 693.203471 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ELNansbSvjK
Name (2R)-N-{(2S)-5-[N-(Benzyloxy)-N-tosylamino]-2-{bis(methylthio)methylidene]amino}pentanoyl}-bornane-10,2-sultam
Alternate Name(s) Dimethyl 4-{(benzyloxy)[(4-methylphenyl)sulfonyl]amino}-1-[(10,10-dimethyl-3,3-dioxido-3-thia-4-azatricyclo[5.2.1.0(1,5)]dec-4-yl)carbonyl]butyldithioimidocarbonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H43N3O6S4
InChI InChI=1S/C32H43N3O6S4/c1-23-13-15-26(16-14-23)45(39,40)34(41-21-24-10-7-6-8-11-24)19-9-12-27(33-30(42-4)43-5)29(36)35-28-20-25-17-18-32(28,31(25,2)3)22-44(35,37)38/h6-8,10-11,13-16,25,27-28H,9,12,17-22H2,1-5H3/t25-,27+,28+,32-/m0/s1
InChIKey SDDMADYGRMVTPB-DLMLISOQSA-N
Molecular Weight 693.951 g/mol
SMILES [C@@]12(N(S(C[C@]11C([C@](C2)(CC1)[H])(C)C)(=O)=O)C([C@](N=C(SC)SC)(CCCN(S(c1ccc(cc1)C)(=O)=O)OCc1ccccc1)[H])=O)[H]
SPLASH splash10-0006-9413000000-056daf7f39bb0a96dae3
Source of Spectrum H-77-2377-8
Wiley ID 1414816