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4-[5-[BIS-[2-(2-AMINO-2-CARBOXYETHYLSULFANYL)-ETHYL]-AMINO]-1-METHYL-1H-BENZOIMIDAZOL-2-YL]-BUTANOIC-ACID
SpectraBase Compound ID Gft8JPGSzUR
InChI InChI=1S/C22H33N5O6S2/c1-26-18-6-5-14(11-17(18)25-19(26)3-2-4-20(28)29)27(7-9-34-12-15(23)21(30)31)8-10-35-13-16(24)22(32)33/h5-6,11,15-16H,2-4,7-10,12-13,23-24H2,1H3,(H,28,29)(H,30,31)(H,32,33)/t15-,16-/m0/s1
InChIKey AHLRDSPXWDUJDF-HOTGVXAUSA-N
Mol Weight 527.7 g/mol
Molecular Formula C22H33N5O6S2
Exact Mass 527.187226 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F4fCSDNCRc9
Name 4-[5-[BIS-[2-(2-AMINO-2-CARBOXYETHYLSULFANYL)-ETHYL]-AMINO]-1-METHYL-1H-BENZOIMIDAZOL-2-YL]-BUTANOIC-ACID
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H33N5O6S2
InChI InChI=1S/C22H33N5O6S2/c1-26-18-6-5-14(11-17(18)25-19(26)3-2-4-20(28)29)27(7-9-34-12-15(23)21(30)31)8-10-35-13-16(24)22(32)33/h5-6,11,15-16H,2-4,7-10,12-13,23-24H2,1H3,(H,28,29)(H,30,31)(H,32,33)/t15-,16-/m0/s1
InChIKey AHLRDSPXWDUJDF-HOTGVXAUSA-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 527.654 g/mol
Source File Reference UWLU74252