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Pentanoic acid, 2-[[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino]-3-phenylpropyl ester, (S)-
SpectraBase Compound ID 5qPEmG9OOhC
InChI InChI=1S/C25H28N2O4/c1-3-4-15-22(28)30-17-21(16-19-11-7-5-8-12-19)26-25(29)23-18(2)31-27-24(23)20-13-9-6-10-14-20/h5-14,21H,3-4,15-17H2,1-2H3,(H,26,29)
InChIKey ZKJXJERNYYHYHR-UHFFFAOYSA-N
Mol Weight 420.51 g/mol
Molecular Formula C25H28N2O4
Exact Mass 420.204907 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G83VLUy0iF6
Name Pentanoic acid, 2-[[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino]-3-phenylpropyl ester, (S)-
CAS Registry Number 132715-95-8
Comments Less than 3 mono-isotopic peaks
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Formula C25H28N2O4
InChI InChI=1S/C25H28N2O4/c1-3-4-15-22(28)30-17-21(16-19-11-7-5-8-12-19)26-25(29)23-18(2)31-27-24(23)20-13-9-6-10-14-20/h5-14,21H,3-4,15-17H2,1-2H3,(H,26,29)
InChIKey ZKJXJERNYYHYHR-UHFFFAOYSA-N
Molecular Weight 420.509 g/mol
SMILES N(C(c1c(noc1C)-c1ccccc1)=O)C(Cc1ccccc1)COC(=O)CCCC
SPLASH splash10-014i-0009300000-ba2c9f058a7b6b19c340
Source of Spectrum Y-27-2002-6
Synonyms 2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-3-phenylpropyl pentanoate 3-Phenyl-4-(2-(butylcarbonyloxy)-1-benzyl-ethylaminocarbonyl)-5-methylisoxazol pentanoic acid [2-[[(5-methyl-3-phenyl-4-isoxazolyl)-oxomethyl]amino]-3-phenylpropyl] ester [2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-3-phenylpropyl] pentanoate [2-[(5-methyl-3-phenyl-isoxazole-4-carbonyl)amino]-3-phenyl-propyl] pentanoate [2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonylamino]-3-phenyl-propyl] pentanoate
Wiley ID 1378073