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L-Alanine, N-[N-[N-(4-pyridinylmethylene)-L-valyl]-L-isoleucyl]-, ethyl ester
SpectraBase Compound ID CEHXLHBrj1I
InChI InChI=1S/C22H34N4O4/c1-7-15(5)19(21(28)25-16(6)22(29)30-8-2)26-20(27)18(14(3)4)24-13-17-9-11-23-12-10-17/h9-16,18-19H,7-8H2,1-6H3,(H,25,28)(H,26,27)/b24-13+
InChIKey PKTRKMXMGHQIDY-ZMOGYAJESA-N
Mol Weight 418.5 g/mol
Molecular Formula C22H34N4O4
Exact Mass 418.258006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gul8Q0pKqnI
Name L-Alanine, N-[N-[N-(4-pyridinylmethylene)-L-valyl]-L-isoleucyl]-, ethyl ester
CAS Registry Number 37580-33-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H34N4O4
InChI InChI=1S/C22H34N4O4/c1-7-15(5)19(21(28)25-16(6)22(29)30-8-2)26-20(27)18(14(3)4)24-13-17-9-11-23-12-10-17/h9-16,18-19H,7-8H2,1-6H3,(H,25,28)(H,26,27)/b24-13+
InChIKey PKTRKMXMGHQIDY-ZMOGYAJESA-N
Molecular Weight 418.538 g/mol
SMILES N(C(C(OCC)=O)C)C(C(NC(=O)C(\N=C\c1ccncc1)C(C)C)C(C)CC)=O
SPLASH splash10-0ir0-0491000000-9741cbdb9edc2cb5275a
Source of Spectrum O7-0-817-0
Synonyms Ethyl 2-((3-methyl-2-[(3-methyl-2-([(E)-4-pyridinylmethylidene]amino)butanoyl)amino]pentanoyl)amino)propanoate
Wiley ID 1377172