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

View entire compound with spectra: 2 MS (GC)

[2-(<S>-2'-Oxo-4'-phenylazetidin-1'-yl)acetyl]-L-valyl-L-alanine - benzyl ester
SpectraBase Compound ID 4WsnIoY38jG
InChI InChI=1S/C26H31N3O5/c1-17(2)24(25(32)27-18(3)26(33)34-16-19-10-6-4-7-11-19)28-22(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,27,32)(H,28,30)/t18-,21-,24-/m0/s1
InChIKey SILOVKRBOQMNNN-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 H8uReTgAOrI
Name [2-(-2'-Oxo-4'-phenylazetidin-1'-yl)acetyl]-L-valyl-L-alanine - benzyl ester
Alternate Name(s) {2-[(S)-2-Oxo-4-phenylazetidin-1-yl]acetyl}-L-valyl-L-alanine Benzyl Ester (S)-benzyl 2-((S)-3-methyl-2-(2-((S)-2-oxo-4-phenylazetidin-1-yl)acetamido)butanamido)propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H31N3O5
InChI InChI=1S/C26H31N3O5/c1-17(2)24(25(32)27-18(3)26(33)34-16-19-10-6-4-7-11-19)28-22(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,27,32)(H,28,30)/t18-,21-,24-/m0/s1
InChIKey SILOVKRBOQMNNN-XZOYJPPVSA-N
Molecular Weight 465.550 g/mol
SMILES N([C@](C(N[C@](C(OCc1ccccc1)=O)(C)[H])=O)(C(C)C)[H])C(CN1C(=O)C[C@]1(c1ccccc1)[H])=O
SPLASH splash10-066u-5990000000-b4564054c1f62ec627a9
Source of Spectrum D8-333-249-21
Wiley ID 1516860