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Benzyl 2(S)-[(tert-butoxycarbonyl)amino]-4-oxo-5-[(phthaloyl)amino]pentanoate
SpectraBase Compound ID AFq0zdaB1GZ
InChI InChI=1S/C25H26N2O7/c1-25(2,3)34-24(32)26-20(23(31)33-15-16-9-5-4-6-10-16)13-17(28)14-27-21(29)18-11-7-8-12-19(18)22(27)30/h4-12,20H,13-15H2,1-3H3,(H,26,32)/t20-/m0/s1
InChIKey MOGRYYLUBSHRIW-FQEVSTJZSA-N
Mol Weight 466.49 g/mol
Molecular Formula C25H26N2O7
Exact Mass 466.174001 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HyvpPAeGpHX
Name Benzyl 2(S)-[(tert-butoxycarbonyl)amino]-4-oxo-5-[(phthaloyl)amino]pentanoate
Alternate Name(s) benzyl (2S)-2-[(tert-butoxycarbonyl)amino]-5-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-oxopentanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H26N2O7
InChI InChI=1S/C25H26N2O7/c1-25(2,3)34-24(32)26-20(23(31)33-15-16-9-5-4-6-10-16)13-17(28)14-27-21(29)18-11-7-8-12-19(18)22(27)30/h4-12,20H,13-15H2,1-3H3,(H,26,32)/t20-/m0/s1
InChIKey MOGRYYLUBSHRIW-FQEVSTJZSA-N
Molecular Weight 466.490 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@](C(OCc1ccccc1)=O)(CC(CN1C(c2ccccc2C1=O)=O)=O)[H]
SPLASH splash10-014i-0009200000-f96bf6a917ba31ba7a5f
Source of Spectrum J-57-3403-17
Wiley ID 1391934