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(2S,3S)-1-[1-oxo-2-[[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]amino]ethyl]aziridine-2,3-dicarboxylic acid diethyl ester
SpectraBase Compound ID Do4F7sZXrfo
InChI InChI=1S/C20H25N3O8/c1-3-29-18(26)16-17(19(27)30-4-2)23(16)15(25)11-21-14(24)10-22-20(28)31-12-13-8-6-5-7-9-13/h5-9,16-17H,3-4,10-12H2,1-2H3,(H,21,24)(H,22,28)/t16-,17-/m0/s1
InChIKey YFYSZCYCEFGVEC-IRXDYDNUSA-N
Mol Weight 435.43 g/mol
Molecular Formula C20H25N3O8
Exact Mass 435.164165 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EpRDs6uphd2
Name (2S,3S)-1-[1-oxo-2-[[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]amino]ethyl]aziridine-2,3-dicarboxylic acid diethyl ester
Alternate Name(s) (2S,3S)-1-[2-[[2-(benzyloxycarbonylamino)acetyl]amino]acetyl]ethylenimine-2,3-dicarboxylic acid diethyl ester diethyl (2S,3S)-1-[2-[2-(phenylmethoxycarbonylamino)ethanoylamino]ethanoyl]aziridine-2,3-dicarboxylate diethyl (2S,3S)-1-[2-[[2-(benzyloxycarbonylamino)acetyl]amino]acetyl]aziridine-2,3-dicarboxylate diethyl (2S,3S)-1-[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]aziridine-2,3-dicarboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C20H25N3O8
InChI InChI=1S/C20H25N3O8/c1-3-29-18(26)16-17(19(27)30-4-2)23(16)15(25)11-21-14(24)10-22-20(28)31-12-13-8-6-5-7-9-13/h5-9,16-17H,3-4,10-12H2,1-2H3,(H,21,24)(H,22,28)/t16-,17-/m0/s1
InChIKey YFYSZCYCEFGVEC-IRXDYDNUSA-N
Molecular Weight 435.433 g/mol
SMILES N(CC(N1[C@@]([C@]1(C(=O)OCC)[H])(C(=O)OCC)[H])=O)C(CNC(=O)OCc1ccccc1)=O
SPLASH splash10-000i-0900300000-45f46517945292a7fd9d
Source of Spectrum F2-42-569-24
Wiley ID 1600028