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2-(N-Fluoren-9-ylmethoxycarbonylamino)-2-isobutyl-1-(benzylamino)-1-(4'-tolylthiocarbonyl)ethane

View entire compound with spectra: 1 MS (GC)

2-(N-Fluoren-9-ylmethoxycarbonylamino)-2-isobutyl-1-(benzylamino)-1-(4'-tolylthiocarbonyl)ethane
SpectraBase Compound ID BcSRaJgNlBR
InChI InChI=1S/C36H38N2O3S/c1-24(2)21-33(34(37-22-26-11-5-4-6-12-26)35(39)42-27-19-17-25(3)18-20-27)38-36(40)41-23-32-30-15-9-7-13-28(30)29-14-8-10-16-31(29)32/h4-20,24,32-34,37H,21-23H2,1-3H3,(H,38,40)/t33-,34-/m0/s1
InChIKey VUCQZTOBPFTDIS-HEVIKAOCSA-N
Mol Weight 578.8 g/mol
Molecular Formula C36H38N2O3S
Exact Mass 578.260314 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID iNtAZx5RA
Name 2-(N-Fluoren-9-ylmethoxycarbonylamino)-2-isobutyl-1-(benzylamino)-1-(4'-tolylthiocarbonyl)ethane
Alternate Name(s) (2S,3S)-2-Benzylamino-3-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methyl-hexanethioic acid S-p-tolyl ester 1-Benzylamino-3,3-dimethyl-1-(tolylthiocarbonyl)-2-(N-fluoren-9-ylmethoxycarbonyl)butane
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Formula C36H38N2O3S
InChI InChI=1S/C36H38N2O3S/c1-24(2)21-33(34(37-22-26-11-5-4-6-12-26)35(39)42-27-19-17-25(3)18-20-27)38-36(40)41-23-32-30-15-9-7-13-28(30)29-14-8-10-16-31(29)32/h4-20,24,32-34,37H,21-23H2,1-3H3,(H,38,40)/t33-,34-/m0/s1
InChIKey VUCQZTOBPFTDIS-HEVIKAOCSA-N
Molecular Weight 578.771 g/mol
SMILES N(C(OCC1c2c(cccc2)-c2c1cccc2)=O)[C@]([C@@](C(Sc1ccc(cc1)C)=O)(NCc1ccccc1)[H])(CC(C)C)[H]
SPLASH splash10-004i-0940420000-25083f9cdea49f5546b7
Source of Spectrum CV-2002-2307-35
Wiley ID 1610342