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L-Alanine, N-[N-[N-[[4-(dimethylamino)phenyl]methylene]-L-valyl]-L-isoleucyl]-, ethyl ester
SpectraBase Compound ID F2Uk7GpkcIH
InChI InChI=1S/C25H40N4O4/c1-9-17(5)22(24(31)27-18(6)25(32)33-10-2)28-23(30)21(16(3)4)26-15-19-11-13-20(14-12-19)29(7)8/h11-18,21-22H,9-10H2,1-8H3,(H,27,31)(H,28,30)/b26-15+
InChIKey YYMRNGUTBCKTHQ-CVKSISIWSA-N
Mol Weight 460.6 g/mol
Molecular Formula C25H40N4O4
Exact Mass 460.304956 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8T9vhUsanUT
Name L-Alanine, N-[N-[N-[[4-(dimethylamino)phenyl]methylene]-L-valyl]-L-isoleucyl]-, ethyl ester
CAS Registry Number 37580-35-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H40N4O4
InChI InChI=1S/C25H40N4O4/c1-9-17(5)22(24(31)27-18(6)25(32)33-10-2)28-23(30)21(16(3)4)26-15-19-11-13-20(14-12-19)29(7)8/h11-18,21-22H,9-10H2,1-8H3,(H,27,31)(H,28,30)/b26-15+
InChIKey YYMRNGUTBCKTHQ-CVKSISIWSA-N
Molecular Weight 460.619 g/mol
SMILES N(C(C(OCC)=O)C)C(C(NC(=O)C(\N=C\c1ccc(cc1)N(C)C)C(C)C)C(C)CC)=O
SPLASH splash10-0udj-0292200000-423cece1e4c45854f2b2
Source of Spectrum O7-0-817-0
Synonyms Ethyl 2-[(2-([2-(((E)-[4-(dimethylamino)phenyl]methylidene)amino)-3-methylbutanoyl]amino)-3-methylpentanoyl)amino]propanoate
Wiley ID 1390489