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l-Alanine, N-[N-[N-[3-[4-(dimethylamino)phenyl]-2-propenylidene]-l-valyl]-l-isoleucyl]-, ethyl ester
SpectraBase Compound ID JD2CsMlJkaE
InChI InChI=1S/C27H42N4O4/c1-9-19(5)24(26(33)29-20(6)27(34)35-10-2)30-25(32)23(18(3)4)28-17-11-12-21-13-15-22(16-14-21)31(7)8/h11-20,23-24H,9-10H2,1-8H3,(H,29,33)(H,30,32)/b12-11+,28-17+/t19-,20-,23-,24-/m0/s1
InChIKey ZMOAZFFYVMCKLA-KWDZFOOESA-N
Mol Weight 486.7 g/mol
Molecular Formula C27H42N4O4
Exact Mass 486.320606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1gmvOEINCzS
Name l-Alanine, N-[N-[N-[3-[4-(dimethylamino)phenyl]-2-propenylidene]-l-valyl]-l-isoleucyl]-, ethyl ester
CAS Registry Number 37580-28-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H42N4O4
InChI InChI=1S/C27H42N4O4/c1-9-19(5)24(26(33)29-20(6)27(34)35-10-2)30-25(32)23(18(3)4)28-17-11-12-21-13-15-22(16-14-21)31(7)8/h11-20,23-24H,9-10H2,1-8H3,(H,29,33)(H,30,32)/b12-11+,28-17+/t19-,20-,23-,24-/m0/s1
InChIKey ZMOAZFFYVMCKLA-KWDZFOOESA-N
Molecular Weight 486.657 g/mol
SMILES N(C([C@@](\N=C\C=C\c1ccc(cc1)N(C)C)(C(C)C)[H])=O)[C@](C(N[C@](C(=O)OCC)(C)[H])=O)([C@](CC)(C)[H])[H]
SPLASH splash10-00fr-2590000000-704ba13f079efd347514
Source of Spectrum O7-0-817-0
Synonyms Ethyl (2S)-2-[((2S,3S)-2-{[(2S)-2-({(E,2E)-3-[4-(dimethylamino)phenyl]-2-propenylidene}amino)-3-methylbutanoyl]amino}-3-methylpentanoyl)amino]propanoate p-Dimethylaminocinnamylidene valylisoleucylalanine ethyl ester
Wiley ID 1396496