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Cyclopropylmethyl (2S)-({N-[(3,5-Difluorophenyl)acetyl]-L-alanyl}amino)(phenyl)acetate
SpectraBase Compound ID HgcAtQOJyP7
InChI InChI=1S/C23H24F2N2O4/c1-14(26-20(28)11-16-9-18(24)12-19(25)10-16)22(29)27-21(17-5-3-2-4-6-17)23(30)31-13-15-7-8-15/h2-6,9-10,12,14-15,21H,7-8,11,13H2,1H3,(H,26,28)(H,27,29)/t14-,21-/m0/s1
InChIKey CSOCLUJUDSARLZ-QKKBWIMNSA-N
Mol Weight 430.45 g/mol
Molecular Formula C23H24F2N2O4
Exact Mass 430.170414 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GC5BM4HObVv
Name Cyclopropylmethyl (2S)-({N-[(3,5-Difluorophenyl)acetyl]-L-alanyl}amino)(phenyl)acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H24F2N2O4
InChI InChI=1S/C23H24F2N2O4/c1-14(26-20(28)11-16-9-18(24)12-19(25)10-16)22(29)27-21(17-5-3-2-4-6-17)23(30)31-13-15-7-8-15/h2-6,9-10,12,14-15,21H,7-8,11,13H2,1H3,(H,26,28)(H,27,29)/t14-,21-/m0/s1
InChIKey CSOCLUJUDSARLZ-QKKBWIMNSA-N
Literature Reference DOI 10.1002/hlca.200490208
Molecular Weight 430.452 g/mol
SMILES N(C(=O)Cc1cc(F)cc(c1)F)[C@](C(=O)N[C@](C(OCC1CC1)=O)(c1ccccc1)[H])(C)[H]
SPLASH splash10-0a5c-5902200000-0b1a1fb78abf6ed1f913
Source of Spectrum H-87-2339-12
Synonyms cyclopropylmethyl (S)-2-((S)-2-(2-(3,5-difluorophenyl)acetamido)propanamido)-2-phenylacetate
Wiley ID 1785601