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Cyclopropyl(phenyl)methyl N-[(3'',5''-difluorophenyl)acetyl]-L-alanylamino-(phenyl)acetate

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Cyclopropyl(phenyl)methyl N-[(3'',5''-difluorophenyl)acetyl]-L-alanylamino-(phenyl)acetate
SpectraBase Compound ID BolyDmx00bD
InChI InChI=1S/C29H28F2N2O4/c1-18(32-25(34)16-19-14-23(30)17-24(31)15-19)28(35)33-26(20-8-4-2-5-9-20)29(36)37-27(22-12-13-22)21-10-6-3-7-11-21/h2-11,14-15,17-18,22,26-27H,12-13,16H2,1H3,(H,32,34)(H,33,35)/t18-,26-,27?/m0/s1
InChIKey YWMGWJMARVCHBE-DSTIZGRMSA-N
Mol Weight 506.55 g/mol
Molecular Formula C29H28F2N2O4
Exact Mass 506.201714 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5YJh2ZOlGxo
Name Cyclopropyl(phenyl)methyl N-[(3'',5''-difluorophenyl)acetyl]-L-alanylamino-(phenyl)acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H28F2N2O4
InChI InChI=1S/C29H28F2N2O4/c1-18(32-25(34)16-19-14-23(30)17-24(31)15-19)28(35)33-26(20-8-4-2-5-9-20)29(36)37-27(22-12-13-22)21-10-6-3-7-11-21/h2-11,14-15,17-18,22,26-27H,12-13,16H2,1H3,(H,32,34)(H,33,35)/t18-,26-,27?/m0/s1
InChIKey YWMGWJMARVCHBE-DSTIZGRMSA-N
Molecular Weight 506.550 g/mol
SMILES N([C@](C(OC(C1CC1)c1ccccc1)=O)(c1ccccc1)[H])C([C@@](NC(=O)Cc1cc(F)cc(c1)F)(C)[H])=O
SPLASH splash10-0005-4210900000-e664595a67f5547f41f5
Source of Spectrum H-87-2339-15
Synonyms (2S)-2-[[(2S)-2-[[2-(3,5-difluorophenyl)-1-oxoethyl]amino]-1-oxopropyl]amino]-2-phenylacetic acid[cyclopropyl(phenyl)methyl]ester (2S)-2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]amino]-2-phenyl-acetic acid[cyclopropyl(phenyl)methyl]ester cyclopropyl(phenyl)methyl (2S)-[((2S)-2-{[(3,5-difluorophenyl)acetyl]amino}propanoyl)amino](phenyl)ethanoate [cyclopropyl(phenyl)methyl](2S)-2-[[(2S)-2-[2-[3,5-bis(fluoranyl)phenyl]ethanoylamino]propanoyl]amino]-2-phenyl-ethanoate [cyclopropyl(phenyl)methyl](2S)-2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]amino]-2-phenyl-acetate (2S)-2-[[(2S)-2-[[2-(3,5-difluorophenyl)-1-oxoethyl]amino]-1-oxopropyl]amino]-2-phenylacetic acid [cyclopropyl(phenyl)methyl] ester [cyclopropyl(phenyl)methyl] (2S)-2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]amino]-2-phenylacetate [cyclopropyl(phenyl)methyl] (2S)-2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]amino]-2-phenyl-acetate [cyclopropyl(phenyl)methyl] (2S)-2-[[(2S)-2-[2-[3,5-bis(fluoranyl)phenyl]ethanoylamino]propanoyl]amino]-2-phenyl-ethanoate
Wiley ID 1564024