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4-Phenylthiocarbonyl-2-(N-phthaloyl)-N-[1-(methoxycarbonyl)-3-methylbutyl]butanamide
SpectraBase Compound ID 4rSucJgY5gB
InChI InChI=1S/C26H28N2O6S/c1-16(2)15-20(26(33)34-3)27-23(30)21(13-14-22(29)35-17-9-5-4-6-10-17)28-24(31)18-11-7-8-12-19(18)25(28)32/h4-12,16,20-21H,13-15H2,1-3H3,(H,27,30)/t20-,21-/m0/s1
InChIKey YYLLMLRAUIAQKS-SFTDATJTSA-N
Mol Weight 496.58 g/mol
Molecular Formula C26H28N2O6S
Exact Mass 496.166808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EGImIInXobn
Name 4-Phenylthiocarbonyl-2-(N-phthaloyl)-N-[1-(methoxycarbonyl)-3-methylbutyl]butanamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H28N2O6S
InChI InChI=1S/C26H28N2O6S/c1-16(2)15-20(26(33)34-3)27-23(30)21(13-14-22(29)35-17-9-5-4-6-10-17)28-24(31)18-11-7-8-12-19(18)25(28)32/h4-12,16,20-21H,13-15H2,1-3H3,(H,27,30)/t20-,21-/m0/s1
InChIKey YYLLMLRAUIAQKS-SFTDATJTSA-N
Molecular Weight 496.578 g/mol
SMILES N(C([C@@](N1C(c2ccccc2C1=O)=O)(CCC(Sc1ccccc1)=O)[H])=O)[C@](C(=O)OC)(CC(C)C)[H]
SPLASH splash10-002r-0928000000-cf524f57186fdca263f3
Source of Spectrum F-55-10181-15
Synonyms (S)-2-[(S)-2-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-4-phenylsulfanylcarbonyl-butyrylamino]-4-methyl-pentanoic acid methyl ester Methyl 2-{[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-5-oxo-5-(phenylsulfanyl)pentanoyl]amino}-4-methylpentanoate
Wiley ID 838870