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Tardioxopiperazine A [cyclo-L-alanyl-5-isopentenyl-2-(1',1'-dimethylallyl)-L-tryptophan)]
SpectraBase Compound ID Abi1aL29dER
InChI InChI=1S/C24H31N3O2/c1-7-24(5,6)21-18(13-20-23(29)25-15(4)22(28)27-20)17-12-16(9-8-14(2)3)10-11-19(17)26-21/h7-8,10-12,15,20,26H,1,9,13H2,2-6H3,(H,25,29)(H,27,28)/t15-,20-/m0/s1
InChIKey WXGWEFVOPYZZTA-YWZLYKJASA-N
Mol Weight 393.53 g/mol
Molecular Formula C24H31N3O2
Exact Mass 393.241627 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2dvL5iwfV8j
Name Tardioxopiperazine A [cyclo-L-alanyl-5-isopentenyl-2-(1',1'-dimethylallyl)-L-tryptophan)]
Alternate Name(s) (3S,6S)-3-[[2-(1,1-dimethylallyl)-5-(3-methylbut-2-enyl)-1H-indol-3-yl]methyl]-6-methyl-piperazine-2,5-dione (3S,6S)-3-methyl-6-[[2-(2-methylbut-3-en-2-yl)-5-(3-methylbut-2-enyl)-1H-indol-3-yl]methyl]piperazine-2,5-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H31N3O2
InChI InChI=1S/C24H31N3O2/c1-7-24(5,6)21-18(13-20-23(29)25-15(4)22(28)27-20)17-12-16(9-8-14(2)3)10-11-19(17)26-21/h7-8,10-12,15,20,26H,1,9,13H2,2-6H3,(H,25,29)(H,27,28)/t15-,20-/m0/s1
InChIKey WXGWEFVOPYZZTA-YWZLYKJASA-N
Molecular Weight 393.531 g/mol
SMILES [nH]1c2c(c(C[C@]3(C(N[C@](C)([H])C(N3)=O)=O)[H])c1C(C=C)(C)C)cc(cc2)CC=C(C)C
SPLASH splash10-014i-0091000000-6528e5c1bf773caa5dd9
Source of Spectrum E2-47-1431-6
Wiley ID 1554993