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(2S,2' S)-{N-[2'-(Isobutylamino)-3'-phenylpropionyl}bornane-10,12-sultam
SpectraBase Compound ID HQTAAwbjQcX
InChI InChI=1S/C23H34N2O3S/c1-16(2)14-24-19(12-17-8-6-5-7-9-17)21(26)25-20-13-18-10-11-23(20,22(18,3)4)15-29(25,27)28/h5-9,16,18-20,24H,10-15H2,1-4H3/t18-,19-,20-,23-/m0/s1
InChIKey UTIMDBJXQZUSMH-MXBUBSDBSA-N
Mol Weight 418.6 g/mol
Molecular Formula C23H34N2O3S
Exact Mass 418.229014 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DGmkRYVxlEq
Name (2S,2' S)-{N-[2'-(Isobutylamino)-3'-phenylpropionyl}bornane-10,12-sultam
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H34N2O3S
InChI InChI=1S/C23H34N2O3S/c1-16(2)14-24-19(12-17-8-6-5-7-9-17)21(26)25-20-13-18-10-11-23(20,22(18,3)4)15-29(25,27)28/h5-9,16,18-20,24H,10-15H2,1-4H3/t18-,19-,20-,23-/m0/s1
InChIKey UTIMDBJXQZUSMH-MXBUBSDBSA-N
Molecular Weight 418.596 g/mol
SMILES N([C@](C(N1S(C[C@]23C([C@@](CC3)(C[C@]12[H])[H])(C)C)(=O)=O)=O)(Cc1ccccc1)[H])CC(C)C
SPLASH splash10-004i-2903000000-28a157e633fa349e281f
Source of Spectrum H-76-194-6
Synonyms N-{(1S)-1-benzyl-2-[(5S)-10,10-dimethyl-3,3-dioxido-3-thia-4-azatricyclo[5.2.1.0(1,5)]dec-4-yl]-2-oxoethyl}-2-methyl-1-propanamine N-{(1S)-1-benzyl-2-[(5S)-10,10-dimethyl-3,3-dioxido-3-thia-4-azatricyclo[5.2.1.0(1,5)]dec-4-yl]-2-oxoethyl}-N-isobutylamine
Wiley ID 1377212