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Valine, N-[N-[3-[(carboxymethyl)thio]-N-decanoyl-L-alanyl]glycyl]-, dimethyl ester, L-
SpectraBase Compound ID FJj6fQf00WV
InChI InChI=1S/C24H43N3O7S/c1-6-7-8-9-10-11-12-13-19(28)26-18(15-35-16-21(30)33-4)23(31)25-14-20(29)27-22(17(2)3)24(32)34-5/h17-18,22H,6-16H2,1-5H3,(H,25,31)(H,26,28)(H,27,29)
InChIKey KTPUZJYKOYVBJL-UHFFFAOYSA-N
Mol Weight 517.7 g/mol
Molecular Formula C24H43N3O7S
Exact Mass 517.282172 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ci0DGWRYwE0
Name Valine, N-[N-[3-[(carboxymethyl)thio]-N-decanoyl-L-alanyl]glycyl]-, dimethyl ester, L-
CAS Registry Number 19729-27-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H43N3O7S
InChI InChI=1S/C24H43N3O7S/c1-6-7-8-9-10-11-12-13-19(28)26-18(15-35-16-21(30)33-4)23(31)25-14-20(29)27-22(17(2)3)24(32)34-5/h17-18,22H,6-16H2,1-5H3,(H,25,31)(H,26,28)(H,27,29)
InChIKey KTPUZJYKOYVBJL-UHFFFAOYSA-N
Molecular Weight 517.682 g/mol
SMILES N(C(C(NCC(NC(C(OC)=O)C(C)C)=O)=O)CSCC(OC)=O)C(CCCCCCCCC)=O
SPLASH splash10-0ac1-0695100000-8fc9756a43c995abdebe
Source of Spectrum T-68-5129-0
Synonyms Methyl 2-([((2-(decanoylamino)-3-[(2-methoxy-2-oxoethyl)sulfanyl]propanoyl)amino)acetyl]amino)-3-methylbutanoate 2-[[2-[[2-(caprylamino)-3-[(2-keto-2-methoxy-ethyl)thio]propanoyl]amino]acetyl]amino]-3-methyl-butyric acid methyl ester 2-[[2-[[3-[(2-methoxy-2-oxoethyl)thio]-1-oxo-2-(1-oxodecylamino)propyl]amino]-1-oxoethyl]amino]-3-methylbutanoic acid methyl ester Methyl 2-[2-[[2-(decanoylamino)-3-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-propanoyl]amino]ethanoylamino]-3-methyl-butanoate Methyl 2-[[2-[[2-(decanoylamino)-3-(2-methoxy-2-oxo-ethyl)sulfanyl-propanoyl]amino]acetyl]amino]-3-methyl-butanoate
Wiley ID 1401540