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M-dimethylaminobenaylidenevalylisoleucylalanine ethyl ester
SpectraBase Compound ID 4oqeQtYOlQ
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)26-15-19-12-11-13-20(14-19)29(7)8/h11-18,21-22H,9-10H2,1-8H3,(H,27,31)(H,28,30)/b26-15+
InChIKey VVCIOCNPBMWDTA-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 7KdfP8MyvGS
Name M-dimethylaminobenaylidenevalylisoleucylalanine ethyl ester
CAS Registry Number 58068-87-4
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)26-15-19-12-11-13-20(14-19)29(7)8/h11-18,21-22H,9-10H2,1-8H3,(H,27,31)(H,28,30)/b26-15+
InChIKey VVCIOCNPBMWDTA-CVKSISIWSA-N
Molecular Weight 460.619 g/mol
SMILES N(C(C(\N=C\c1cc(N(C)C)ccc1)C(C)C)=O)C(C(NC(C(=O)OCC)C)=O)C(CC)C
SPLASH splash10-0fe1-3961100000-3290e141ef60c54e270e
Source of Spectrum O-10-688-1
Synonyms Ethyl 2-[(2-{[2-({(E)-[3-(dimethylamino)phenyl]methylidene}amino)-3-methylbutanoyl]amino}-3-methylpentanoyl)amino]propanoate
Wiley ID 1390491