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{2-[(S)-2-Oxo-4-phenylazetidin-1-yl]acetyl}-L-alanyl-L-valine Benzyl Ester
SpectraBase Compound ID 1aQUaOyUEDY
InChI InChI=1S/C26H31N3O5/c1-17(2)24(26(33)34-16-19-10-6-4-7-11-19)28-25(32)18(3)27-22(30)15-29-21(14-23(29)31)20-12-8-5-9-13-20/h4-13,17-18,21,24H,14-16H2,1-3H3,(H,27,30)(H,28,32)/t18-,21-,24-/m0/s1
InChIKey HEZMGQWLIIFHJR-XZOYJPPVSA-N
Mol Weight 465.55 g/mol
Molecular Formula C26H31N3O5
Exact Mass 465.226371 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID QnciKWgEq
Name {2-[(S)-2-Oxo-4-phenylazetidin-1-yl]acetyl}-L-alanyl-L-valine Benzyl Ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H31N3O5
InChI InChI=1S/C26H31N3O5/c1-17(2)24(26(33)34-16-19-10-6-4-7-11-19)28-25(32)18(3)27-22(30)15-29-21(14-23(29)31)20-12-8-5-9-13-20/h4-13,17-18,21,24H,14-16H2,1-3H3,(H,27,30)(H,28,32)/t18-,21-,24-/m0/s1
InChIKey HEZMGQWLIIFHJR-XZOYJPPVSA-N
Literature Reference DOI 10.1002_1521-4184(20008)333_8_243
Molecular Weight 465.550 g/mol
SMILES N([C@](C(=O)OCc1ccccc1)(C(C)C)[H])C([C@@](NC(=O)CN1C(C[C@]1(c1ccccc1)[H])=O)(C)[H])=O
SPLASH splash10-00r6-7921100000-f0b0483881af2bf2aa4c
Source of Spectrum APP-333-249-18
Synonyms (S)-benzyl 3-methyl-2-((S)-2-(2-((S)-2-oxo-4-phenylazetidin-1-yl)acetamido)propanamido)butanoate (2S)-3-methyl-2-[[(2S)-1-oxo-2-[[1-oxo-2-[(4S)-2-oxo-4-phenyl-1-azetidinyl]ethyl]amino]propyl]amino]butanoic acid (phenylmethyl) ester Benzyl (2S)-3-methyl-2-[[(2S)-2-[[2-[(4S)-2-oxo-4-phenylazetidin-1-yl]acetyl]amino]propanoyl]amino]butanoate Benzyl (2S)-3-methyl-2-[[(2S)-2-[[2-[(4S)-2-oxo-4-phenyl-azetidin-1-yl]acetyl]amino]propanoyl]amino]butanoate (phenylmethyl) (2S)-3-methyl-2-[[(2S)-2-[2-[(4S)-2-oxidanylidene-4-phenyl-azetidin-1-yl]ethanoylamino]propanoyl]amino]butanoate
Wiley ID 1770454