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(2R)-N-{(2S)-2-{bis(Methylthio)methylidene]amino}-6-(N-phenyl-N-tosylamino)hexanoyl}-bornane-10,2-sultam
SpectraBase Compound ID K0VAtpBgLV6
InChI InChI=1S/C32H43N3O5S4/c1-23-14-16-26(17-15-23)44(39,40)34(25-11-7-6-8-12-25)20-10-9-13-27(33-30(41-4)42-5)29(36)35-28-21-24-18-19-32(28,31(24,2)3)22-43(35,37)38/h6-8,11-12,14-17,24,27-28H,9-10,13,18-22H2,1-5H3/t24-,27-,28+,32-/m0/s1
InChIKey XHJXQSFOUZZDEN-GOFRPNEHSA-N
Mol Weight 678.0 g/mol
Molecular Formula C32H43N3O5S4
Exact Mass 677.208556 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L9wvOmiIL47
Name (2R)-N-{(2S)-2-{bis(Methylthio)methylidene]amino}-6-(N-phenyl-N-tosylamino)hexanoyl}-bornane-10,2-sultam
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H43N3O5S4
InChI InChI=1S/C32H43N3O5S4/c1-23-14-16-26(17-15-23)44(39,40)34(25-11-7-6-8-12-25)20-10-9-13-27(33-30(41-4)42-5)29(36)35-28-21-24-18-19-32(28,31(24,2)3)22-43(35,37)38/h6-8,11-12,14-17,24,27-28H,9-10,13,18-22H2,1-5H3/t24-,27-,28+,32-/m0/s1
InChIKey XHJXQSFOUZZDEN-GOFRPNEHSA-N
Molecular Weight 677.952 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(S(c1ccc(cc1)C)(=O)=O)c1ccccc1)[H])=O)[H]
SPLASH splash10-0ac0-0934205000-5c734a6339b2c839ebd4
Source of Spectrum H-77-2378-10
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}-5-{[(4-methylphenyl)sulfonyl]anilino}pentyldithioimidocarbonate
Wiley ID 1414210