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2-[[(4R)-1,3-dibenzyl-2-keto-5-methoxy-imidazolidin-4-yl]methylthio]acetic acid methyl ester
SpectraBase Compound ID CWFtkArfqhU
InChI InChI=1S/C22H26N2O4S/c1-27-20(25)16-29-15-19-21(28-2)24(14-18-11-7-4-8-12-18)22(26)23(19)13-17-9-5-3-6-10-17/h3-12,19,21H,13-16H2,1-2H3/t19-,21?/m0/s1
InChIKey HUOMSCUKVNMRHF-ZQRQZVKFSA-N
Mol Weight 414.52 g/mol
Molecular Formula C22H26N2O4S
Exact Mass 414.161328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Agee2n6II7
Name 2-[[(4R)-1,3-dibenzyl-2-keto-5-methoxy-imidazolidin-4-yl]methylthio]acetic acid methyl ester
Alternate Name(s) 2-[[(4R)-5-methoxy-2-oxo-1,3-bis(phenylmethyl)-4-imidazolidinyl]methylthio]acetic acid methyl ester Methyl 2-[[(4R)-1,3-dibenzyl-5-methoxy-2-oxo-imidazolidin-4-yl]methylsulfanyl]acetate Methyl 2-[[(4R)-5-methoxy-2-oxidanylidene-1,3-bis(phenylmethyl)imidazolidin-4-yl]methylsulfanyl]ethanoate
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Formula C22H26N2O4S
InChI InChI=1S/C22H26N2O4S/c1-27-20(25)16-29-15-19-21(28-2)24(14-18-11-7-4-8-12-18)22(26)23(19)13-17-9-5-3-6-10-17/h3-12,19,21H,13-16H2,1-2H3/t19-,21?/m0/s1
InChIKey HUOMSCUKVNMRHF-ZQRQZVKFSA-N
Molecular Weight 414.520 g/mol
SMILES C1(N(C([C@@](N1Cc1ccccc1)(CSCC(=O)OC)[H])OC)Cc1ccccc1)=O
SPLASH splash10-0006-9120000000-21ba0625ca5077f2b1cb
Source of Spectrum KC-61-9277-7
Wiley ID 1630594