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(S)-2-Benzyloxycarbonylamino-3-((S)-2-benzyloxycarbonylamino-2-methoxycarbonyl-ethylsulfanylmethylsulfanyl)-propionic acid methyl ester

View entire compound with spectra: 1 MS (GC)

(S)-2-Benzyloxycarbonylamino-3-((S)-2-benzyloxycarbonylamino-2-methoxycarbonyl-ethylsulfanylmethylsulfanyl)-propionic acid methyl ester
SpectraBase Compound ID I3xjCGmFgPb
InChI InChI=1S/C25H30N2O8S2/c1-32-22(28)20(26-24(30)34-13-18-9-5-3-6-10-18)15-36-17-37-16-21(23(29)33-2)27-25(31)35-14-19-11-7-4-8-12-19/h3-12,20-21H,13-17H2,1-2H3,(H,26,30)(H,27,31)/t20-,21-/m1/s1
InChIKey HOUGWRAWLJCMHN-NHCUHLMSSA-N
Mol Weight 550.64 g/mol
Molecular Formula C25H30N2O8S2
Exact Mass 550.144358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IH2QuBQI5x4
Name (S)-2-Benzyloxycarbonylamino-3-((S)-2-benzyloxycarbonylamino-2-methoxycarbonyl-ethylsulfanylmethylsulfanyl)-propionic acid methyl ester
Alternate Name(s) Bis(2-benzyloxycarbonylamino methyl 3-mercaptopropionate)methane Dimethyl (5S,11S)-3,13-dioxo-1,15-diphenyl-2,14-dioxa-7,9-dithia-4,12-diazapentadecane-5,11-dicarboxylate
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Formula C25H30N2O8S2
InChI InChI=1S/C25H30N2O8S2/c1-32-22(28)20(26-24(30)34-13-18-9-5-3-6-10-18)15-36-17-37-16-21(23(29)33-2)27-25(31)35-14-19-11-7-4-8-12-19/h3-12,20-21H,13-17H2,1-2H3,(H,26,30)(H,27,31)/t20-,21-/m1/s1
InChIKey HOUGWRAWLJCMHN-NHCUHLMSSA-N
Molecular Weight 550.641 g/mol
SMILES N(C(=O)OCc1ccccc1)[C@](CSCSC[C@@](NC(=O)OCc1ccccc1)(C(=O)OC)[H])(C(=O)OC)[H]
SPLASH splash10-0udl-9400070000-44c7c2a370716aee2481
Source of Spectrum QC-26-813-18
Wiley ID 1584571