L-Alanine, N-[N-[N-(1H-indol-3-ylmethylene)-L-valyl]-L-isoleucyl]-, ethyl ester

SpectraBase Compound ID	11WrwLPALq2
InChI	InChI=1S/C25H36N4O4/c1-7-16(5)22(24(31)28-17(6)25(32)33-8-2)29-23(30)21(15(3)4)27-14-18-13-26-20-12-10-9-11-19(18)20/h9-17,21-22,26H,7-8H2,1-6H3,(H,28,31)(H,29,30)/b27-14+/t16-,17-,21-,22-/m0/s1
InChIKey	MCJXEEYLVCYDSV-HZTAVNABSA-N Google Search
Mol Weight	456.6 g/mol
Molecular Formula	C25H36N4O4
Exact Mass	456.273656 g/mol

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SpectraBase Spectrum ID	B7IWKm3sfhD
Name	L-Alanine, N-[N-[N-(1H-indol-3-ylmethylene)-L-valyl]-L-isoleucyl]-, ethyl ester
Alternate Name(s)	B-indolylmethylidene valylisoleucylalanine ethyl ester
CAS Registry Number	37580-24-8
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C25H36N4O4
InChI	InChI=1S/C25H36N4O4/c1-7-16(5)22(24(31)28-17(6)25(32)33-8-2)29-23(30)21(15(3)4)27-14-18-13-26-20-12-10-9-11-19(18)20/h9-17,21-22,26H,7-8H2,1-6H3,(H,28,31)(H,29,30)/b27-14+/t16-,17-,21-,22-/m0/s1
InChIKey	MCJXEEYLVCYDSV-HZTAVNABSA-N
Molecular Weight	456.587 g/mol
SMILES	N(C([C@@](\N=C\c1c[nH]c2c1cccc2)(C(C)C)[H])=O)[C@](C(N[C@](C(=O)OCC)(C)[H])=O)([C@](CC)(C)[H])[H]
SPLASH	splash10-03dj-0928000000-1b3913cf2f3e587cfecd
Source of Spectrum	O7-0-817-0
Wiley ID	1389307