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4-Phenylthiocarbonyl-2-(N-phthaloyl)-N-[1-(methoxycarbonyl)-2-methylpropyl]butanamide
SpectraBase Compound ID 4m4ylXnFdrE
InChI InChI=1S/C25H26N2O6S/c1-15(2)21(25(32)33-3)26-22(29)19(13-14-20(28)34-16-9-5-4-6-10-16)27-23(30)17-11-7-8-12-18(17)24(27)31/h4-12,15,19,21H,13-14H2,1-3H3,(H,26,29)/t19-,21-/m0/s1
InChIKey JSKMTTVYZLCZEL-FPOVZHCZSA-N
Mol Weight 482.55 g/mol
Molecular Formula C25H26N2O6S
Exact Mass 482.151158 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2XTmbEO9DyB
Name 4-Phenylthiocarbonyl-2-(N-phthaloyl)-N-[1-(methoxycarbonyl)-2-methylpropyl]butanamide
Alternate Name(s) (S)-2-[(S)-2-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-4-phenylsulfanylcarbonyl-butyrylamino]-3-methyl-butyric acid methyl ester Methyl 2-{[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-5-oxo-5-(phenylsulfanyl)pentanoyl]amino}-3-methylbutanoate
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Formula C25H26N2O6S
InChI InChI=1S/C25H26N2O6S/c1-15(2)21(25(32)33-3)26-22(29)19(13-14-20(28)34-16-9-5-4-6-10-16)27-23(30)17-11-7-8-12-18(17)24(27)31/h4-12,15,19,21H,13-14H2,1-3H3,(H,26,29)/t19-,21-/m0/s1
InChIKey JSKMTTVYZLCZEL-FPOVZHCZSA-N
Molecular Weight 482.551 g/mol
SMILES N(C([C@@](N1C(c2ccccc2C1=O)=O)(CCC(Sc1ccccc1)=O)[H])=O)[C@](C(=O)OC)(C(C)C)[H]
SPLASH splash10-01p9-0908000000-42374a1e88c4ec353397
Source of Spectrum F-55-10181-14
Wiley ID 838871