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N-dansyl-methylvaline
SpectraBase Compound ID JPrwf7BDyDo
InChI InChI=1S/C18H24N2O4S/c1-12(2)17(18(21)24-5)19-25(22,23)16-11-7-8-13-14(16)9-6-10-15(13)20(3)4/h6-12,17,19H,1-5H3
InChIKey YCWWUBIIDPBPCN-UHFFFAOYSA-N
Mol Weight 364.46 g/mol
Molecular Formula C18H24N2O4S
Exact Mass 364.145678 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kx1N0luC131
Name N-dansyl-methylvaline
Alternate Name(s) Methyl 2-({[5-(dimethylamino)-1-naphthyl]sulfonyl}amino)-3-methylbutanoate Methyl N-(5-dimethylaminonaphthalene-1-sulfonyl)-2-amino-3-methylbutanoate
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Formula C18H24N2O4S
InChI InChI=1S/C18H24N2O4S/c1-12(2)17(18(21)24-5)19-25(22,23)16-11-7-8-13-14(16)9-6-10-15(13)20(3)4/h6-12,17,19H,1-5H3
InChIKey YCWWUBIIDPBPCN-UHFFFAOYSA-N
Molecular Weight 364.460 g/mol
SMILES N(S(c1c2c(c(N(C)C)ccc2)ccc1)(=O)=O)C(C(=O)OC)C(C)C
SPLASH splash10-0229-0809000000-a66339e2ae5ebcb49d86
Source of Spectrum KO-14-2-0
Wiley ID 1350662