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L-Alanine, N-[N-[N-[(4-nitrophenyl)methylene]-L-valyl]-L-isoleucyl]-, ethyl ester
SpectraBase Compound ID H75ZkAtKJ5u
InChI InChI=1S/C23H34N4O6/c1-7-15(5)20(22(29)25-16(6)23(30)33-8-2)26-21(28)19(14(3)4)24-13-17-9-11-18(12-10-17)27(31)32/h9-16,19-20H,7-8H2,1-6H3,(H,25,29)(H,26,28)/b24-13+
InChIKey IXJFRMRRQPKPRV-ZMOGYAJESA-N
Mol Weight 462.5 g/mol
Molecular Formula C23H34N4O6
Exact Mass 462.247835 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LaKKI4WVVeb
Name L-Alanine, N-[N-[N-[(4-nitrophenyl)methylene]-L-valyl]-L-isoleucyl]-, ethyl ester
Alternate Name(s) Ethyl 2-((3-methyl-2-[(3-methyl-2-([(E)-(4-nitrophenyl)methylidene]amino)butanoyl)amino]pentanoyl)amino)propanoate
CAS Registry Number 37580-25-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H34N4O6
InChI InChI=1S/C23H34N4O6/c1-7-15(5)20(22(29)25-16(6)23(30)33-8-2)26-21(28)19(14(3)4)24-13-17-9-11-18(12-10-17)27(31)32/h9-16,19-20H,7-8H2,1-6H3,(H,25,29)(H,26,28)/b24-13+
InChIKey IXJFRMRRQPKPRV-ZMOGYAJESA-N
Molecular Weight 462.547 g/mol
SMILES N(C(C(OCC)=O)C)C(C(NC(=O)C(\N=C\c1ccc(cc1)N(=O)=O)C(C)C)C(C)CC)=O
SPLASH splash10-056s-0956000000-2d077bd41f48fd57793e
Source of Spectrum O7-0-817-0
Wiley ID 1390981