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2-[[(4S)-1,3-dibenzyl-2-keto-5-(phenylthio)imidazolidin-4-yl]methylthio]acetic acid methyl ester
SpectraBase Compound ID HwPepRxLnPc
InChI InChI=1S/C27H28N2O3S2/c1-32-25(30)20-33-19-24-26(34-23-15-9-4-10-16-23)29(18-22-13-7-3-8-14-22)27(31)28(24)17-21-11-5-2-6-12-21/h2-16,24,26H,17-20H2,1H3/t24-,26?/m0/s1
InChIKey ILEXOSSVAMYMRV-QSAPEBAKSA-N
Mol Weight 492.65 g/mol
Molecular Formula C27H28N2O3S2
Exact Mass 492.154135 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CwyPm8K9MEp
Name 2-[[(4S)-1,3-dibenzyl-2-keto-5-(phenylthio)imidazolidin-4-yl]methylthio]acetic acid methyl ester
Alternate Name(s) 2-[[(4S)-2-oxo-1,3-bis(phenylmethyl)-5-(phenylthio)-4-imidazolidinyl]methylthio]acetic acid methyl ester Methyl 2-[[(4S)-1,3-dibenzyl-2-oxo-5-phenylsulfanyl-imidazolidin-4-yl]methylsulfanyl]acetate Methyl 2-[[(4S)-2-oxidanylidene-1,3-bis(phenylmethyl)-5-phenylsulfanyl-imidazolidin-4-yl]methylsulfanyl]ethanoate
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Formula C27H28N2O3S2
InChI InChI=1S/C27H28N2O3S2/c1-32-25(30)20-33-19-24-26(34-23-15-9-4-10-16-23)29(18-22-13-7-3-8-14-22)27(31)28(24)17-21-11-5-2-6-12-21/h2-16,24,26H,17-20H2,1H3/t24-,26?/m0/s1
InChIKey ILEXOSSVAMYMRV-QSAPEBAKSA-N
Molecular Weight 492.652 g/mol
SMILES C1(N(C([C@@](N1Cc1ccccc1)(CSCC(=O)OC)[H])Sc1ccccc1)Cc1ccccc1)=O
SPLASH splash10-004l-4191000000-e6a21512a8ec0f473a5d
Source of Spectrum KC-61-9277-8
Wiley ID 1630591