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1H-Indole-2-propanoic acid, .alpha.-[[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-3-furanyl]carbonyl]amino]-
SpectraBase Compound ID 2XmTq0XCCIs
InChI InChI=1S/C25H22N2O6/c1-14-18(13-22(33-14)16-6-7-21-23(11-16)32-9-8-31-21)24(28)27-20(25(29)30)12-17-10-15-4-2-3-5-19(15)26-17/h2-7,10-11,13,20,26H,8-9,12H2,1H3,(H,27,28)(H,29,30)
InChIKey BMBXLIYGTUVGTH-UHFFFAOYSA-N
Mol Weight 446.46 g/mol
Molecular Formula C25H22N2O6
Exact Mass 446.147786 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID qtiNavd4ky
Name 1H-Indole-2-propanoic acid, .alpha.-[[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-3-furanyl]carbonyl]amino]-
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H22N2O6
InChI InChI=1S/C25H22N2O6/c1-14-18(13-22(33-14)16-6-7-21-23(11-16)32-9-8-31-21)24(28)27-20(25(29)30)12-17-10-15-4-2-3-5-19(15)26-17/h2-7,10-11,13,20,26H,8-9,12H2,1H3,(H,27,28)(H,29,30)
InChIKey BMBXLIYGTUVGTH-UHFFFAOYSA-N
Molecular Weight 446.459 g/mol
SMILES N(C(c1cc(-c2cc3OCCOc3cc2)oc1C)=O)C(C(=O)O)Cc1[nH]c2ccccc2c1
SPLASH splash10-001i-1910000000-7909ddf99708c79f1b79
Source of Spectrum IY-1-4629-0
Synonyms 2-[[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-3-furanyl]-oxomethyl]amino]-3-(1H-indol-2-yl)propanoic acid 2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylfuran-3-carbonyl]amino]-3-(1H-indol-2-yl)propanoic acid 2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-furan-3-carbonyl]amino]-3-(1H-indol-2-yl)propanoic acid 2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-furan-3-yl]carbonylamino]-3-(1H-indol-2-yl)propanoic acid
Wiley ID 1654273