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(2S,3S)-1-[(2S)-1-oxo-2-[[(2S)-1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]-3-phenylpropyl]aziridine-2,3-dicarboxylic acid diethyl ester
SpectraBase Compound ID 8XvZptmpnbP
InChI InChI=1S/C28H33N3O8/c1-4-37-26(34)22-23(27(35)38-5-2)31(22)25(33)21(16-19-12-8-6-9-13-19)30-24(32)18(3)29-28(36)39-17-20-14-10-7-11-15-20/h6-15,18,21-23H,4-5,16-17H2,1-3H3,(H,29,36)(H,30,32)/t18-,21-,22-,23-/m0/s1
InChIKey SSYYDUXIYRRTPY-QGQQZZQASA-N
Mol Weight 539.6 g/mol
Molecular Formula C28H33N3O8
Exact Mass 539.226765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Eap4NsJRjcO
Name (2S,3S)-1-[(2S)-1-oxo-2-[[(2S)-1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]-3-phenylpropyl]aziridine-2,3-dicarboxylic acid diethyl ester
Alternate Name(s) (2S,3S)-1-[(2S)-2-[[(2S)-2-(benzyloxycarbonylamino)propanoyl]amino]-3-phenyl-propanoyl]ethylenimine-2,3-dicarboxylic acid diethyl ester diethyl (2S,3S)-1-[(2S)-2-[[(2S)-2-(benzyloxycarbonylamino)propanoyl]amino]-3-phenyl-propanoyl]aziridine-2,3-dicarboxylate diethyl (2S,3S)-1-[(2S)-3-phenyl-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]aziridine-2,3-dicarboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C28H33N3O8
InChI InChI=1S/C28H33N3O8/c1-4-37-26(34)22-23(27(35)38-5-2)31(22)25(33)21(16-19-12-8-6-9-13-19)30-24(32)18(3)29-28(36)39-17-20-14-10-7-11-15-20/h6-15,18,21-23H,4-5,16-17H2,1-3H3,(H,29,36)(H,30,32)/t18-,21-,22-,23-/m0/s1
InChIKey SSYYDUXIYRRTPY-QGQQZZQASA-N
Molecular Weight 539.585 g/mol
SMILES N([C@](C(N1[C@@]([C@]1(C(=O)OCC)[H])(C(=O)OCC)[H])=O)(Cc1ccccc1)[H])C([C@@](NC(=O)OCc1ccccc1)(C)[H])=O
SPLASH splash10-000f-9000080000-681755fa15790db9814c
Source of Spectrum F2-42-569-25
Wiley ID 1600027