For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
L-Alanine, N-[N-[N-[3-[4-(diethylamino)phenyl]-2-propenylidene]-L-valyl]-L-isoleucyl]-, ethyl ester
SpectraBase Compound ID JUhGRX4dNil
InChI InChI=1S/C29H46N4O4/c1-9-21(7)26(28(35)31-22(8)29(36)37-12-4)32-27(34)25(20(5)6)30-19-13-14-23-15-17-24(18-16-23)33(10-2)11-3/h13-22,25-26H,9-12H2,1-8H3,(H,31,35)(H,32,34)/b14-13+,30-19+
InChIKey BXONYQXTRBXEAJ-LGBQYWHVSA-N
Mol Weight 514.7 g/mol
Molecular Formula C29H46N4O4
Exact Mass 514.351906 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 8IQtZxbEZEZ
Name L-Alanine, N-[N-[N-[3-[4-(diethylamino)phenyl]-2-propenylidene]-L-valyl]-L-isoleucyl]-, ethyl ester
Alternate Name(s) Ethyl 2-[(2-([2-(((E,2E)-3-[4-(diethylamino)phenyl]-2-propenylidene)amino)-3-methylbutanoyl]amino)-3-methylpentanoyl)amino]propanoate
CAS Registry Number 37580-29-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H46N4O4
InChI InChI=1S/C29H46N4O4/c1-9-21(7)26(28(35)31-22(8)29(36)37-12-4)32-27(34)25(20(5)6)30-19-13-14-23-15-17-24(18-16-23)33(10-2)11-3/h13-22,25-26H,9-12H2,1-8H3,(H,31,35)(H,32,34)/b14-13+,30-19+
InChIKey BXONYQXTRBXEAJ-LGBQYWHVSA-N
Molecular Weight 514.711 g/mol
SMILES N(C(C(OCC)=O)C)C(C(NC(=O)C(\N=C\C=C\c1ccc(cc1)N(CC)CC)C(C)C)C(C)CC)=O
SPLASH splash10-0pb9-0096040000-f71eb57f8cc3d16d5a54
Source of Spectrum O7-0-817-0
Wiley ID 1401143