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N-[2-(2,2-Dimethylethyl)-4H-3,1-benzoxazin-4-ylidene]-L-tryptophan methyl ester
SpectraBase Compound ID HkVOXR1QeMZ
InChI InChI=1S/C24H25N3O3/c1-15(2)12-22-26-20-11-7-5-9-18(20)23(30-22)27-21(24(28)29-3)13-16-14-25-19-10-6-4-8-17(16)19/h4-11,14-15,21,25H,12-13H2,1-3H3/b27-23-/t21-/m0/s1
InChIKey DYUUDBRXVORMPZ-GYSBHSFWSA-N
Mol Weight 403.48 g/mol
Molecular Formula C24H25N3O3
Exact Mass 403.189592 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HsUJHQbA3dY
Name N-[2-(2,2-Dimethylethyl)-4H-3,1-benzoxazin-4-ylidene]-L-tryptophan methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H25N3O3
InChI InChI=1S/C24H25N3O3/c1-15(2)12-22-26-20-11-7-5-9-18(20)23(30-22)27-21(24(28)29-3)13-16-14-25-19-10-6-4-8-17(16)19/h4-11,14-15,21,25H,12-13H2,1-3H3/b27-23-/t21-/m0/s1
InChIKey DYUUDBRXVORMPZ-GYSBHSFWSA-N
Molecular Weight 403.482 g/mol
SMILES [nH]1c2c(c(c1)C[C@](\N=C\1OC(CC(C)C)=Nc3c1cccc3)(C(=O)OC)[H])cccc2
SPLASH splash10-001i-0910000000-61df06fcb9a548dabaa0
Source of Spectrum J-65-1029-17
Synonyms N-[2-(2-Methylpropyl)-4H-3,1-benzoxazin-4-ylidene]-L-tryptophan methyl ester Methyl (2S)-3-(1H-indol-3-yl)-2-{[(4Z)-2-isobutyl-4H-3,1-benzoxazin-4-ylidene]amino}propanoate
Wiley ID 1532139