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N-1-[4'-chloro-(E)-stilbenyloxy]ethylcarbonyltryptophan
SpectraBase Compound ID AzyMXh3BQll
InChI InChI=1S/C28H25ClN2O4/c1-18(35-26(15-19-7-3-2-4-8-19)20-11-13-22(29)14-12-20)27(32)31-25(28(33)34)16-21-17-30-24-10-6-5-9-23(21)24/h2-15,17-18,25,30H,16H2,1H3,(H,31,32)(H,33,34)/b26-15+
InChIKey YKNBZDDVZBAMPT-CVKSISIWSA-N
Mol Weight 488.97 g/mol
Molecular Formula C28H25ClN2O4
Exact Mass 488.150285 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6VtL4nn0HTM
Name N-1-[4'-chloro-(E)-stilbenyloxy]ethylcarbonyltryptophan
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H25ClN2O4
InChI InChI=1S/C28H25ClN2O4/c1-18(35-26(15-19-7-3-2-4-8-19)20-11-13-22(29)14-12-20)27(32)31-25(28(33)34)16-21-17-30-24-10-6-5-9-23(21)24/h2-15,17-18,25,30H,16H2,1H3,(H,31,32)(H,33,34)/b26-15+
InChIKey YKNBZDDVZBAMPT-CVKSISIWSA-N
Molecular Weight 488.971 g/mol
SMILES [nH]1c2c(c(CC(C(=O)O)NC(C(O\C(=C\c3ccccc3)c3ccc(cc3)Cl)C)=O)c1)cccc2
SPLASH splash10-001i-0900000000-cf815e5188caafe7cd5d
Source of Spectrum O-29-347-0
Synonyms (2S)-2-[(2-{[(E)-1-(4-chlorophenyl)-2-phenylethenyl]oxy}propanoyl)amino]-3-(1H-indol-3-yl)propanoic acid
Wiley ID 1396899