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(2S)-3-methyl-2-[(2-nitrophenyl)sulfonyl-pent-4-enyl-amino]butyric acid methyl ester
SpectraBase Compound ID K3NUtFCnf9O
InChI InChI=1S/C17H24N2O6S/c1-5-6-9-12-18(16(13(2)3)17(20)25-4)26(23,24)15-11-8-7-10-14(15)19(21)22/h5,7-8,10-11,13,16H,1,6,9,12H2,2-4H3/t16-/m0/s1
InChIKey YOJALVSNJDEUQS-INIZCTEOSA-N
Mol Weight 384.45 g/mol
Molecular Formula C17H24N2O6S
Exact Mass 384.135508 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LxLVL2neD4V
Name (2S)-3-methyl-2-[(2-nitrophenyl)sulfonyl-pent-4-enyl-amino]butyric acid methyl ester
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Formula C17H24N2O6S
InChI InChI=1S/C17H24N2O6S/c1-5-6-9-12-18(16(13(2)3)17(20)25-4)26(23,24)15-11-8-7-10-14(15)19(21)22/h5,7-8,10-11,13,16H,1,6,9,12H2,2-4H3/t16-/m0/s1
InChIKey YOJALVSNJDEUQS-INIZCTEOSA-N
Molecular Weight 384.447 g/mol
SMILES c1(S(N([C@](C(=O)OC)(C(C)C)[H])CCCC=C)(=O)=O)c(N(=O)=O)cccc1
SPLASH splash10-000i-6912000000-7461bee83d5c45679a18
Source of Spectrum F-54-15793-12
Synonyms (2S)-3-methyl-2-[(2-nitrophenyl)sulfonyl-pent-4-enylamino]butanoic acid methyl ester Methyl (2S)-3-methyl-2-[(2-nitrophenyl)sulfonyl-pent-4-enyl-amino]butanoate
Wiley ID 804297