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L-Alanine, N-[N-[N-(3-phenyl-2-propenylidene)-L-valyl]-L-isoleucyl]-, ethyl ester
SpectraBase Compound ID 4Um5nr2FSXY
InChI InChI=1S/C25H37N3O4/c1-7-18(5)22(24(30)27-19(6)25(31)32-8-2)28-23(29)21(17(3)4)26-16-12-15-20-13-10-9-11-14-20/h9-19,21-22H,7-8H2,1-6H3,(H,27,30)(H,28,29)/b15-12+,26-16+
InChIKey REKLDUFHFNQBOU-SSALVRQISA-N
Mol Weight 443.6 g/mol
Molecular Formula C25H37N3O4
Exact Mass 443.278407 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID If5zVryVnxm
Name L-Alanine, N-[N-[N-(3-phenyl-2-propenylidene)-L-valyl]-L-isoleucyl]-, ethyl ester
CAS Registry Number 57174-05-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H37N3O4
InChI InChI=1S/C25H37N3O4/c1-7-18(5)22(24(30)27-19(6)25(31)32-8-2)28-23(29)21(17(3)4)26-16-12-15-20-13-10-9-11-14-20/h9-19,21-22H,7-8H2,1-6H3,(H,27,30)(H,28,29)/b15-12+,26-16+
InChIKey REKLDUFHFNQBOU-SSALVRQISA-N
Molecular Weight 443.588 g/mol
SMILES N(C(C(OCC)=O)C)C(C(NC(=O)C(\N=C\C=C\c1ccccc1)C(C)C)C(C)CC)=O
SPLASH splash10-000i-0952000000-b31a1e88a8963ba205f2
Source of Spectrum O7-0-817-0
Synonyms Ethyl 2-((3-methyl-2-[(3-methyl-2-([(E,2E)-3-phenyl-2-propenylidene]amino)butanoyl)amino]pentanoyl)amino)propanoate
Wiley ID 1385749