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Hexanoic acid, 3-(acetylamino)-6-[[3,6-bis(acetylamino)-1-oxohexyl]amino]-, methyl ester, [S-(R*,R*)]-
SpectraBase Compound ID VA3b6owwSV
InChI InChI=1S/C19H34N4O6/c1-13(24)20-9-5-7-16(22-14(2)25)11-18(27)21-10-6-8-17(23-15(3)26)12-19(28)29-4/h16-17H,5-12H2,1-4H3,(H,20,24)(H,21,27)(H,22,25)(H,23,26)
InChIKey PRVCMZLZEHEQEW-UHFFFAOYSA-N
Mol Weight 414.5 g/mol
Molecular Formula C19H34N4O6
Exact Mass 414.247835 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3muyFbXvJQ
Name Hexanoic acid, 3-(acetylamino)-6-[[3,6-bis(acetylamino)-1-oxohexyl]amino]-, methyl ester, [S-(R*,R*)]-
CAS Registry Number 33861-49-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H34N4O6
InChI InChI=1S/C19H34N4O6/c1-13(24)20-9-5-7-16(22-14(2)25)11-18(27)21-10-6-8-17(23-15(3)26)12-19(28)29-4/h16-17H,5-12H2,1-4H3,(H,20,24)(H,21,27)(H,22,25)(H,23,26)
InChIKey PRVCMZLZEHEQEW-UHFFFAOYSA-N
Molecular Weight 414.503 g/mol
SMILES N(C(=O)C)C(CC(=O)NCCCC(NC(C)=O)CC(OC)=O)CCCNC(C)=O
SPLASH splash10-0w90-6931000000-6cda452881d44ff8520e
Source of Spectrum O6-0-1-0
Synonyms Methyl 3-(acetylamino)-6-([3,6-bis(acetylamino)hexanoyl]amino)hexanoate 3-Acetamido-6-(3,6-diacetamidohexanoylamino)hexanoic acid methyl ester 3-Acetamido-6-[(3,6-diacetamido-1-oxohexyl)amino]hexanoic acid methyl ester Hexanoic acid, 3-acetamido-6-(L-3,6-diacetamidohexanamido)-, methyl ester, L- Methyl 3-acetamido-6-(3,6-diacetamidohexanoylamino)hexanoate
Wiley ID 1375244