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L-Alanine, N-[N-[N-[(4-cyanophenyl)methylene]-L-valyl]-L-isoleucyl]-, ethyl ester
SpectraBase Compound ID 5dl04m8K4F9
InChI InChI=1S/C24H34N4O4/c1-7-16(5)21(23(30)27-17(6)24(31)32-8-2)28-22(29)20(15(3)4)26-14-19-11-9-18(13-25)10-12-19/h9-12,14-17,20-21H,7-8H2,1-6H3,(H,27,30)(H,28,29)/b26-14+
InChIKey QNXSDEJEUUJNDE-VULFUBBASA-N
Mol Weight 442.6 g/mol
Molecular Formula C24H34N4O4
Exact Mass 442.258006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B13cTzL9a7M
Name L-Alanine, N-[N-[N-[(4-cyanophenyl)methylene]-L-valyl]-L-isoleucyl]-, ethyl ester
Alternate Name(s) Ethyl 2-((2-[(2-([(E)-(4-cyanophenyl)methylidene]amino)-3-methylbutanoyl)amino]-3-methylpentanoyl)amino)propanoate
CAS Registry Number 37580-26-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H34N4O4
InChI InChI=1S/C24H34N4O4/c1-7-16(5)21(23(30)27-17(6)24(31)32-8-2)28-22(29)20(15(3)4)26-14-19-11-9-18(13-25)10-12-19/h9-12,14-17,20-21H,7-8H2,1-6H3,(H,27,30)(H,28,29)/b26-14+
InChIKey QNXSDEJEUUJNDE-VULFUBBASA-N
Molecular Weight 442.560 g/mol
SMILES N(C(C(OCC)=O)C)C(C(NC(=O)C(\N=C\c1ccc(cc1)C#N)C(C)C)C(C)CC)=O
SPLASH splash10-004i-0692000000-f9df8321165f00ac1526
Source of Spectrum O7-0-817-0
Wiley ID 1385337