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2-Piperidineundecanoic acid, 1-[4-[acetyl[3-(acetylamino)propyl]amino]butyl]-, methyl ester, (R)-
SpectraBase Compound ID 72PSX8KxeWX
InChI InChI=1S/C28H53N3O4/c1-25(32)29-20-16-24-30(26(2)33)21-14-15-23-31-22-13-12-18-27(31)17-10-8-6-4-5-7-9-11-19-28(34)35-3/h27H,4-24H2,1-3H3,(H,29,32)
InChIKey GTJOTVBERBGKMI-UHFFFAOYSA-N
Mol Weight 495.7 g/mol
Molecular Formula C28H53N3O4
Exact Mass 495.403607 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AyJWyrL1Tv1
Name 2-Piperidineundecanoic acid, 1-[4-[acetyl[3-(acetylamino)propyl]amino]butyl]-, methyl ester, (R)-
CAS Registry Number 53602-40-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H53N3O4
InChI InChI=1S/C28H53N3O4/c1-25(32)29-20-16-24-30(26(2)33)21-14-15-23-31-22-13-12-18-27(31)17-10-8-6-4-5-7-9-11-19-28(34)35-3/h27H,4-24H2,1-3H3,(H,29,32)
InChIKey GTJOTVBERBGKMI-UHFFFAOYSA-N
Molecular Weight 495.749 g/mol
SMILES N(CCCN(CCCCN1C(CCCCCCCCCCC(OC)=O)CCCC1)C(C)=O)C(C)=O
SPLASH splash10-0002-3391100000-5ce9d5fb786a8ed23a81
Source of Spectrum H-57-426-7
Synonyms Methyl 11-[1-(4-(acetyl[3-(acetylamino)propyl]amino)butyl)-2-piperidinyl]undecanoate 11-[1-[4-[3-acetamidopropyl(acetyl)amino]butyl]-2-piperidinyl]undecanoic acid methyl ester 11-[1-[4-[3-acetamidopropyl(acetyl)amino]butyl]-2-piperidyl]undecanoic acid methyl ester Methyl 11-[1-[4-[3-acetamidopropyl(acetyl)amino]butyl]-2-piperidyl]undecanoate Methyl 11-[1-[4-[3-acetamidopropyl(acetyl)amino]butyl]piperidin-2-yl]undecanoate Methyl 11-[1-[4-[3-acetamidopropyl(ethanoyl)amino]butyl]piperidin-2-yl]undecanoate
Wiley ID 1398098