4-[5-[[(2-AMINO-2-CARBOXYETHYLSULFANYL)-ETHYL]-(2'-HYDROXYETHYL)]-AMINO]-1-METHYL-1H-BENZOIMIDAZOL-2-YL]-BUTANOIC-ACID

SpectraBase Compound ID	LkBgQQZZTCD
InChI	InChI=1S/C19H28N4O5S/c1-22-16-6-5-13(11-15(16)21-17(22)3-2-4-18(25)26)23(7-9-24)8-10-29-12-14(20)19(27)28/h5-6,11,14,24H,2-4,7-10,12,20H2,1H3,(H,25,26)(H,27,28)/t14-/m0/s1
InChIKey	DZJFLXGFUNUDNU-AWEZNQCLSA-N Google Search
Mol Weight	424.52 g/mol
Molecular Formula	C19H28N4O5S
Exact Mass	424.178041 g/mol

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SpectraBase Spectrum ID	EiELOJxKJMB
Name	4-[5-[[(2-AMINO-2-CARBOXYETHYLSULFANYL)-ETHYL]-(2'-HYDROXYETHYL)]-AMINO]-1-METHYL-1H-BENZOIMIDAZOL-2-YL]-BUTANOIC-ACID
Compound Number	3
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C19H28N4O5S
InChI	InChI=1S/C19H28N4O5S/c1-22-16-6-5-13(11-15(16)21-17(22)3-2-4-18(25)26)23(7-9-24)8-10-29-12-14(20)19(27)28/h5-6,11,14,24H,2-4,7-10,12,20H2,1H3,(H,25,26)(H,27,28)/t14-/m0/s1
InChIKey	DZJFLXGFUNUDNU-AWEZNQCLSA-N
Literature Reference Author	J.TEICHERT,R.SOHR,F.BAUMANN,L.HENNIG,K.MERKLE,K.CACA,R.PREIS S
Literature Reference Citation	DRUG.MET.DISP.,33,984(2005)
Literature Reference DOI	10.1124/dmd.105.003624
Molecular Weight	424.515 g/mol
Source File Reference	UWLU74251