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(phenylmethyl) 3-methyl-2-[[3-(phenylcarbonylsulfanyl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoate
SpectraBase Compound ID H3pmEc03Mbu
InChI InChI=1S/C30H32N2O6S/c1-21(2)26(28(34)37-18-22-12-6-3-7-13-22)32-27(33)25(20-39-29(35)24-16-10-5-11-17-24)31-30(36)38-19-23-14-8-4-9-15-23/h3-17,21,25-26H,18-20H2,1-2H3,(H,31,36)(H,32,33)
InChIKey KYLUMRIJQQNNMD-UHFFFAOYSA-N
Mol Weight 548.7 g/mol
Molecular Formula C30H32N2O6S
Exact Mass 548.198108 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IbLSzb9GzPk
Name (phenylmethyl) 3-methyl-2-[[3-(phenylcarbonylsulfanyl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoate
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Formula C30H32N2O6S
InChI InChI=1S/C30H32N2O6S/c1-21(2)26(28(34)37-18-22-12-6-3-7-13-22)32-27(33)25(20-39-29(35)24-16-10-5-11-17-24)31-30(36)38-19-23-14-8-4-9-15-23/h3-17,21,25-26H,18-20H2,1-2H3,(H,31,36)(H,32,33)
InChIKey KYLUMRIJQQNNMD-UHFFFAOYSA-N
Molecular Weight 548.654 g/mol
SMILES N(C(C(NC(=O)OCc1ccccc1)CSC(=O)c1ccccc1)=O)C(C(OCc1ccccc1)=O)C(C)C
SPLASH splash10-052f-9611000000-e5fda4eff57b14a2066a
Synonyms 2-[[3-(benzoylthio)-1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]-3-methylbutanoic acid (phenylmethyl) ester 2-[[3-(benzoylthio)-2-(benzyloxycarbonylamino)propanoyl]amino]-3-methyl-butyric acid benzyl ester benzyl 2-[[3-benzoylsulfanyl-2-(benzyloxycarbonylamino)propanoyl]amino]-3-methyl-butanoate benzyl 2-[[3-benzoylsulfanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-methylbutanoate
Wiley ID 1486476