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1-Cyclopropylethyl (2S)-({N-[(3,5-Difluorophenyl)acetyl]-L-alanyl}amino)(phenyl)acetate
SpectraBase Compound ID 5QfPPiwzU5D
InChI InChI=1S/C24H26F2N2O4/c1-14(27-21(29)12-16-10-19(25)13-20(26)11-16)23(30)28-22(18-6-4-3-5-7-18)24(31)32-15(2)17-8-9-17/h3-7,10-11,13-15,17,22H,8-9,12H2,1-2H3,(H,27,29)(H,28,30)/t14-,15?,22-/m0/s1
InChIKey QZEXGQLBMWEAHN-YRZCMAPVSA-N
Mol Weight 444.48 g/mol
Molecular Formula C24H26F2N2O4
Exact Mass 444.186064 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EVtR2sSbHIZ
Name 1-Cyclopropylethyl (2S)-({N-[(3,5-Difluorophenyl)acetyl]-L-alanyl}amino)(phenyl)acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H26F2N2O4
InChI InChI=1S/C24H26F2N2O4/c1-14(27-21(29)12-16-10-19(25)13-20(26)11-16)23(30)28-22(18-6-4-3-5-7-18)24(31)32-15(2)17-8-9-17/h3-7,10-11,13-15,17,22H,8-9,12H2,1-2H3,(H,27,29)(H,28,30)/t14-,15?,22-/m0/s1
InChIKey QZEXGQLBMWEAHN-YRZCMAPVSA-N
Literature Reference DOI 10.1002/hlca.200490208
Molecular Weight 444.479 g/mol
SMILES N(C(=O)Cc1cc(cc(c1)F)F)[C@](C(=O)N[C@](C(OC(C1CC1)C)=O)(c1ccccc1)[H])(C)[H]
SPLASH splash10-0a4l-4901100000-72bcdba1a1e05d3b7a8a
Source of Spectrum H-87-2339-11
Synonyms 1-cyclopropylethyl (2S)-2-((S)-2-(2-(3,5-difluorophenyl)acetamido)propanamido)-2-phenylacetate
Wiley ID 1785600