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(phenylmethyl) 2-[[2-(phenylmethoxycarbonylamino)-3-(phenylmethylsulfanyl)propanoyl]amino]propanoate
SpectraBase Compound ID BQ7lko3zB79
InChI InChI=1S/C28H30N2O5S/c1-21(27(32)34-17-22-11-5-2-6-12-22)29-26(31)25(20-36-19-24-15-9-4-10-16-24)30-28(33)35-18-23-13-7-3-8-14-23/h2-16,21,25H,17-20H2,1H3,(H,29,31)(H,30,33)
InChIKey GQNBOXCKXJTCMA-UHFFFAOYSA-N
Mol Weight 506.62 g/mol
Molecular Formula C28H30N2O5S
Exact Mass 506.187543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID An6NUmz3qTT
Name (phenylmethyl) 2-[[2-(phenylmethoxycarbonylamino)-3-(phenylmethylsulfanyl)propanoyl]amino]propanoate
Alternate Name(s) 2-[[1-oxo-2-(phenylmethoxycarbonylamino)-3-(phenylmethylthio)propyl]amino]propanoic acid (phenylmethyl) ester 2-[[2-(benzyloxycarbonylamino)-3-(benzylthio)propanoyl]amino]propionic acid benzyl ester benzyl 2-[[2-(benzyloxycarbonylamino)-3-benzylsulfanyl-propanoyl]amino]propanoate benzyl 2-[[3-benzylsulfanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate
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Formula C28H30N2O5S
InChI InChI=1S/C28H30N2O5S/c1-21(27(32)34-17-22-11-5-2-6-12-22)29-26(31)25(20-36-19-24-15-9-4-10-16-24)30-28(33)35-18-23-13-7-3-8-14-23/h2-16,21,25H,17-20H2,1H3,(H,29,31)(H,30,33)
InChIKey GQNBOXCKXJTCMA-UHFFFAOYSA-N
Molecular Weight 506.617 g/mol
SMILES N(C(=O)OCc1ccccc1)C(C(NC(C(OCc1ccccc1)=O)C)=O)CSCc1ccccc1
SPLASH splash10-0006-9201000000-2937e6d1b36a51897d4a
Wiley ID 1485462