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#8;4-[5-[[2-(2-ACETYLAMINO-2-CARBOXYETHYLSULFANYL)-ETHYL]-[2-(2-AMINO-2-CARBOXYETHYLSULFANYL)-ETHYL]-AMINO]-1-METHYL-1H-BENZOIMIDAZOL-2-YL]-BUTANOIC-ACID

View entire compound with spectra: 1 NMR

#8;4-[5-[[2-(2-ACETYLAMINO-2-CARBOXYETHYLSULFANYL)-ETHYL]-[2-(2-AMINO-2-CARBOXYETHYLSULFANYL)-ETHYL]-AMINO]-1-METHYL-1H-BENZOIMIDAZOL-2-YL]-BUTANOIC-ACID
SpectraBase Compound ID 9rf0iUKVcYc
InChI InChI=1S/C24H35N5O7S2/c1-15(30)26-19(24(35)36)14-38-11-9-29(8-10-37-13-17(25)23(33)34)16-6-7-20-18(12-16)27-21(28(20)2)4-3-5-22(31)32/h6-7,12,17,19H,3-5,8-11,13-14,25H2,1-2H3,(H,26,30)(H,31,32)(H,33,34)(H,35,36)/t17-,19-/m0/s1
InChIKey SUVLSDLVTXRQRY-HKUYNNGSSA-N
Mol Weight 569.7 g/mol
Molecular Formula C24H35N5O7S2
Exact Mass 569.197791 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gxz6vFMHmXM
Name #8;4-[5-[[2-(2-ACETYLAMINO-2-CARBOXYETHYLSULFANYL)-ETHYL]-[2-(2-AMINO-2-CARBOXYETHYLSULFANYL)-ETHYL]-AMINO]-1-METHYL-1H-BENZOIMIDAZOL-2-YL]-BUTANOIC-ACID
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H35N5O7S2
InChI InChI=1S/C24H35N5O7S2/c1-15(30)26-19(24(35)36)14-38-11-9-29(8-10-37-13-17(25)23(33)34)16-6-7-20-18(12-16)27-21(28(20)2)4-3-5-22(31)32/h6-7,12,17,19H,3-5,8-11,13-14,25H2,1-2H3,(H,26,30)(H,31,32)(H,33,34)(H,35,36)/t17-,19-/m0/s1
InChIKey SUVLSDLVTXRQRY-HKUYNNGSSA-N
Literature Reference Author J.TEICHERT,R.SOHR,L.HENNIG,F.BAUMANN,K.SCHOPPMEYER,U.PATZAK, R.PREISS
Literature Reference Citation DRUG.MET.DISP.,37,292(2009)
Literature Reference DOI 10.1124/dmd.108.022855
Molecular Weight 569.691 g/mol
Source File Reference UWLU74100