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(2S,3S)-N1-Allyl-N3,N3-dibenzyl-2-(2-phenylethylthio)butan-1,3-diamine
SpectraBase Compound ID HmcuT4rXnwT
InChI InChI=1S/C29H36N2S/c1-3-20-30-22-29(32-21-19-26-13-7-4-8-14-26)25(2)31(23-27-15-9-5-10-16-27)24-28-17-11-6-12-18-28/h3-18,25,29-30H,1,19-24H2,2H3/t25-,29-/m0/s1
InChIKey XHOPBGNRZZTAGY-SVEHJYQDSA-N
Mol Weight 444.7 g/mol
Molecular Formula C29H36N2S
Exact Mass 444.25992 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2VIdYdCZ0z9
Name (2S,3S)-N1-Allyl-N3,N3-dibenzyl-2-(2-phenylethylthio)butan-1,3-diamine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H36N2S
InChI InChI=1S/C29H36N2S/c1-3-20-30-22-29(32-21-19-26-13-7-4-8-14-26)25(2)31(23-27-15-9-5-10-16-27)24-28-17-11-6-12-18-28/h3-18,25,29-30H,1,19-24H2,2H3/t25-,29-/m0/s1
InChIKey XHOPBGNRZZTAGY-SVEHJYQDSA-N
Molecular Weight 444.681 g/mol
SMILES N(C[C@@]([C@](C)(N(Cc1ccccc1)Cc1ccccc1)[H])(SCCc1ccccc1)[H])CC=C
SPLASH splash10-006x-7290000000-196ed51f031cf0f21969
Source of Spectrum F-70-9415-2
Synonyms (2S,3S)-N(1)-allyl-N(3),N(3)-dibenzyl-2-[(2-phenylethyl)sulfanyl]-1,3-butanediamine N-allyl-N-{(2S,3S)-3-(dibenzylamino)-2-[(2-phenylethyl)sulfanyl]butyl}amine (2S,3S)-2-(2-phenylethylthio)-N3,N3-bis(phenylmethyl)-N1-prop-2-enylbutane-1,3-diamine (2S,3S)-3-N,3-N-dibenzyl-2-(2-phenylethylsulfanyl)-1-N-prop-2-enylbutane-1,3-diamine (2S,3S)-N1-allyl-N3,N3-dibenzyl-2-(2-phenylethylsulfanyl)butane-1,3-diamine (2S,3S)-2-(2-phenylethylsulfanyl)-N3,N3-bis(phenylmethyl)-N1-prop-2-enyl-butane-1,3-diamine
Wiley ID 1597841