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(2S,3S)-1-N,3-N,3-N-tribenzyl-2-benzylsulfanyl-4-phenylmethoxybutane-1,3-diamine
SpectraBase Compound ID EpEI1tk30z1
InChI InChI=1S/C39H42N2OS/c1-6-16-33(17-7-1)26-40-27-39(43-32-37-24-14-5-15-25-37)38(31-42-30-36-22-12-4-13-23-36)41(28-34-18-8-2-9-19-34)29-35-20-10-3-11-21-35/h1-25,38-40H,26-32H2/t38-,39-/m0/s1
InChIKey YYPXSVPQMMTKNB-YDAXCOIMSA-N
Mol Weight 586.8 g/mol
Molecular Formula C39H42N2OS
Exact Mass 586.301785 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KBjK49S3L3w
Name (2S,3S)-1-N,3-N,3-N-tribenzyl-2-benzylsulfanyl-4-phenylmethoxybutane-1,3-diamine
Alternate Name(s) (2S,3S)-4-phenylmethoxy-N1,N3,N3-tris(phenylmethyl)-2-(phenylmethylsulfanyl)butane-1,3-diamine (2S,3S)-4-phenylmethoxy-N1,N3,N3-tris(phenylmethyl)-2-(phenylmethylthio)butane-1,3-diamine (2S,3S)-N1,N3,N3-tribenzyl-4-benzyloxy-2-benzylsulfanyl-butane-1,3-diamine [(1S,2S)-1-(benzoxymethyl)-3-(benzylamino)-2-(benzylthio)propyl]-dibenzyl-amine
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Formula C39H42N2OS
InChI InChI=1S/C39H42N2OS/c1-6-16-33(17-7-1)26-40-27-39(43-32-37-24-14-5-15-25-37)38(31-42-30-36-22-12-4-13-23-36)41(28-34-18-8-2-9-19-34)29-35-20-10-3-11-21-35/h1-25,38-40H,26-32H2/t38-,39-/m0/s1
InChIKey YYPXSVPQMMTKNB-YDAXCOIMSA-N
Molecular Weight 586.838 g/mol
SMILES N(C[C@@]([C@](COCc1ccccc1)(N(Cc1ccccc1)Cc1ccccc1)[H])(SCc1ccccc1)[H])Cc1ccccc1
SPLASH splash10-0006-9250000000-08e70b6874879adef8e2
Source of Spectrum F-70-9415-2
Wiley ID 1597840