L-Valine, N-[N,O-bis(2,4-dinitrophenyl)-L-tyrosyl]-, methyl ester

SpectraBase Compound ID	Gi8bOpxNZeD
InChI	InChI=1S/C27H26N6O12/c1-15(2)25(27(35)44-3)29-26(34)21(28-20-10-6-17(30(36)37)13-22(20)32(40)41)12-16-4-8-19(9-5-16)45-24-11-7-18(31(38)39)14-23(24)33(42)43/h4-11,13-15,21,25,28H,12H2,1-3H3,(H,29,34)
InChIKey	RZEQTKISYDIZLJ-UHFFFAOYSA-N Google Search
Mol Weight	626.54 g/mol
Molecular Formula	C27H26N6O12
Exact Mass	626.16087 g/mol

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SpectraBase Spectrum ID	Kobv1h06Gx2
Name	L-Valine, N-[N,O-bis(2,4-dinitrophenyl)-L-tyrosyl]-, methyl ester
Alternate Name(s)	Methyl 2-((2-(2,4-dinitroanilino)-3-[4-(2,4-dinitrophenoxy)phenyl]propanoyl)amino)-3-methylbutanoate 2-[[2-(2,4-dinitroanilino)-3-[4-(2,4-dinitrophenoxy)phenyl]-1-oxopropyl]amino]-3-methylbutanoic acid methyl ester 2-[[2-(2,4-dinitroanilino)-3-[4-(2,4-dinitrophenoxy)phenyl]propanoyl]amino]-3-methyl-butyric acid methyl ester Methyl 2-[[3-[4-(2,4-dinitrophenoxy)phenyl]-2-[(2,4-dinitrophenyl)amino]propanoyl]amino]-3-methyl-butanoate Methyl 2-[[2-(2,4-dinitroanilino)-3-[4-(2,4-dinitrophenoxy)phenyl]propanoyl]amino]-3-methylbutanoate
CAS Registry Number	56051-46-8
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C27H26N6O12
InChI	InChI=1S/C27H26N6O12/c1-15(2)25(27(35)44-3)29-26(34)21(28-20-10-6-17(30(36)37)13-22(20)32(40)41)12-16-4-8-19(9-5-16)45-24-11-7-18(31(38)39)14-23(24)33(42)43/h4-11,13-15,21,25,28H,12H2,1-3H3,(H,29,34)
InChIKey	RZEQTKISYDIZLJ-UHFFFAOYSA-N
Molecular Weight	626.535 g/mol
SMILES	N(C(C(C)C)C(=O)OC)C(C(Cc1ccc(cc1)Oc1ccc(cc1N(=O)=O)N(=O)=O)Nc1ccc(cc1N(=O)=O)N(=O)=O)=O
SPLASH	splash10-0i00-0466900000-223b629a0e69b8e1adb5
Source of Spectrum	T-66-2413-0
Wiley ID	1411861