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Hexanoic acid, 6-(acetylamino)-3-[[3,6-bis(acetylamino)-1-oxohexyl]amino]-, methyl ester, [S-(R*,R*)]-
SpectraBase Compound ID Zez4uas1cP
InChI InChI=1S/C19H34N4O6/c1-13(24)20-9-5-7-16(22-15(3)26)11-18(27)23-17(12-19(28)29-4)8-6-10-21-14(2)25/h16-17H,5-12H2,1-4H3,(H,20,24)(H,21,25)(H,22,26)(H,23,27)
InChIKey YJFPZZJHYADTFP-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 HUzN9HcZ17v
Name Hexanoic acid, 6-(acetylamino)-3-[[3,6-bis(acetylamino)-1-oxohexyl]amino]-, methyl ester, [S-(R*,R*)]-
CAS Registry Number 33861-54-0
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(22-15(3)26)11-18(27)23-17(12-19(28)29-4)8-6-10-21-14(2)25/h16-17H,5-12H2,1-4H3,(H,20,24)(H,21,25)(H,22,26)(H,23,27)
InChIKey YJFPZZJHYADTFP-UHFFFAOYSA-N
Molecular Weight 414.503 g/mol
SMILES N(C(C)=O)CCCC(CC(OC)=O)NC(CC(CCCNC(C)=O)NC(C)=O)=O
SPLASH splash10-0w29-6920000000-f1c1e9c058a51a4ff35d
Source of Spectrum O-6-5-4
Synonyms Methyl 6-(acetylamino)-3-([3,6-bis(acetylamino)hexanoyl]amino)hexanoate 6-Acetamido-3-(3,6-diacetamidohexanoylamino)hexanoic acid methyl ester 6-Acetamido-3-[(3,6-diacetamido-1-oxohexyl)amino]hexanoic acid methyl ester Hexanoic acid, 6-acetamido-3-(L-3,6-diacetamidohexanamido)-, methyl ester, L- Methyl 6-acetamido-3-(3,6-diacetamidohexanoylamino)hexanoate
Wiley ID 1375241