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N-dansyl-glycinyl-valyl methylester
SpectraBase Compound ID BwQo6Y2UlCe
InChI InChI=1S/C20H27N3O5S/c1-13(2)19(20(25)28-5)22-18(24)12-21-29(26,27)17-11-7-8-14-15(17)9-6-10-16(14)23(3)4/h6-11,13,19,21H,12H2,1-5H3,(H,22,24)
InChIKey BFRGNACZZVAKPH-UHFFFAOYSA-N
Mol Weight 421.51 g/mol
Molecular Formula C20H27N3O5S
Exact Mass 421.167142 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G4h9NxEGPAE
Name N-dansyl-glycinyl-valyl methylester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H27N3O5S
InChI InChI=1S/C20H27N3O5S/c1-13(2)19(20(25)28-5)22-18(24)12-21-29(26,27)17-11-7-8-14-15(17)9-6-10-16(14)23(3)4/h6-11,13,19,21H,12H2,1-5H3,(H,22,24)
InChIKey BFRGNACZZVAKPH-UHFFFAOYSA-N
Molecular Weight 421.512 g/mol
SMILES N(S(c1c2c(c(N(C)C)ccc2)ccc1)(=O)=O)CC(NC(C(=O)OC)C(C)C)=O
SPLASH splash10-00di-0910300000-37e2225af5182db0e66c
Source of Spectrum KO-14-6-0
Synonyms Methyl 2-{[({[5-(dimethylamino)-1-naphthyl]sulfonyl}amino)acetyl]amino}-3-methylbutanoate Methyl N-(5-dimethylaminonaphthalene-1-sulfonyl)-aminoacetyl-2-aminobutanoate
Wiley ID 1378274