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[2-(2'-Oxo-4'-phenylazetidin-1'-yl)acetyl]-L-alanyl-L-valine - benzyl ester

View entire compound with spectra: 1 MS (GC)

[2-(2'-Oxo-4'-phenylazetidin-1'-yl)acetyl]-L-alanyl-L-valine - benzyl ester
SpectraBase Compound ID 9BFNEpN0tpO
InChI InChI=1S/C26H31N3O5/c1-17(2)24(26(33)34-16-19-10-6-4-7-11-19)29(25(32)18(3)27)23(31)15-28-21(14-22(28)30)20-12-8-5-9-13-20/h4-13,17-18,21,24H,14-16,27H2,1-3H3/t18-,21?,24-/m0/s1
InChIKey YQHVEEHKMFFUFS-HIHYIXDKSA-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 A42Jp9Jb234
Name [2-(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)29(25(32)18(3)27)23(31)15-28-21(14-22(28)30)20-12-8-5-9-13-20/h4-13,17-18,21,24H,14-16,27H2,1-3H3/t18-,21?,24-/m0/s1
InChIKey YQHVEEHKMFFUFS-HIHYIXDKSA-N
Molecular Weight 465.550 g/mol
SMILES N[C@](C(N(C(CN1C(=O)CC1c1ccccc1)=O)[C@](C(OCc1ccccc1)=O)(C(C)C)[H])=O)(C)[H]
SPLASH splash10-00r6-7921100000-d93a51bea7aadc709393
Source of Spectrum D8-333-249-18
Synonyms benzyl (2S)-2-{[(2S)-2-aminopropanoyl][(2-oxo-4-phenyl-1-azetidinyl)acetyl]amino}-3-methylbutanoate
Wiley ID 1516861