L-Alanine, N-[N-[N-[(4-methoxyphenyl)methylene]-L-valyl]-L-isoleucyl]-, ethyl ester

SpectraBase Compound ID	3Fv3HJdo7Q6
InChI	InChI=1S/C24H37N3O5/c1-8-16(5)21(23(29)26-17(6)24(30)32-9-2)27-22(28)20(15(3)4)25-14-18-10-12-19(31-7)13-11-18/h10-17,20-21H,8-9H2,1-7H3,(H,26,29)(H,27,28)/b25-14+/t16-,17-,20-,21-/m0/s1
InChIKey	PEUJYKHDJUFDPU-HBWLIQHTSA-N Google Search
Mol Weight	447.6 g/mol
Molecular Formula	C24H37N3O5
Exact Mass	447.273321 g/mol

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SpectraBase Spectrum ID	HjuDLam0vFN
Name	L-Alanine, N-[N-[N-[(4-methoxyphenyl)methylene]-L-valyl]-L-isoleucyl]-, ethyl ester
Alternate Name(s)	Ethyl (2S)-2-({(2S,3S)-2-[((2S)-2-{[(E)-(4-methoxyphenyl)methylidene]amino}-3-methylbutanoyl)amino]-3-methylpentanoyl}amino)propanoate p-Methoxybenzylidene valylisoleucylalanine ethyl ester
CAS Registry Number	37580-30-6
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C24H37N3O5
InChI	InChI=1S/C24H37N3O5/c1-8-16(5)21(23(29)26-17(6)24(30)32-9-2)27-22(28)20(15(3)4)25-14-18-10-12-19(31-7)13-11-18/h10-17,20-21H,8-9H2,1-7H3,(H,26,29)(H,27,28)/b25-14+/t16-,17-,20-,21-/m0/s1
InChIKey	PEUJYKHDJUFDPU-HBWLIQHTSA-N
Molecular Weight	447.576 g/mol
SMILES	N(C([C@@](\N=C\c1ccc(cc1)OC)(C(C)C)[H])=O)[C@](C(N[C@](C(=O)OCC)(C)[H])=O)([C@](CC)(C)[H])[H]
SPLASH	splash10-0fef-6966100000-b004c3b0897185b415d6
Source of Spectrum	O7-0-817-0
Wiley ID	1386922