![4-[5-[BIS-[2-(2-ACETYLAMINO-2-CARBOXYETHYLSULFANYL)-ETHYL]-AMINO]-1-METHYL-1H-BENZOIMIDAZOL-2-YL]-BUTANOIC-ACID](/api/spectrum/BHOGJAKJbBy/structure.png?h=300&w=458 "4-[5-[BIS-[2-(2-ACETYLAMINO-2-CARBOXYETHYLSULFANYL)-ETHYL]-AMINO]-1-METHYL-1H-BENZOIMIDAZOL-2-YL]-BUTANOIC-ACID")
| SpectraBase Compound ID | 4SdbECqA57y |
|---|---|
| InChI | InChI=1S/C26H37N5O8S2/c1-16(32)27-20(25(36)37)14-40-11-9-31(10-12-41-15-21(26(38)39)28-17(2)33)18-7-8-22-19(13-18)29-23(30(22)3)5-4-6-24(34)35/h7-8,13,20-21H,4-6,9-12,14-15H2,1-3H3,(H,27,32)(H,28,33)(H,34,35)(H,36,37)(H,38,39)/t20-,21-/m0/s1 |
| InChIKey | YSTNDPUOARKGRL-SFTDATJTSA-N |
| Mol Weight | 611.7 g/mol |
| Molecular Formula | C26H37N5O8S2 |
| Exact Mass | 611.208356 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BHOGJAKJbBy |
|---|---|
| Name | 4-[5-[BIS-[2-(2-ACETYLAMINO-2-CARBOXYETHYLSULFANYL)-ETHYL]-AMINO]-1-METHYL-1H-BENZOIMIDAZOL-2-YL]-BUTANOIC-ACID |
| Compound Number | 10 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H37N5O8S2 |
| InChI | InChI=1S/C26H37N5O8S2/c1-16(32)27-20(25(36)37)14-40-11-9-31(10-12-41-15-21(26(38)39)28-17(2)33)18-7-8-22-19(13-18)29-23(30(22)3)5-4-6-24(34)35/h7-8,13,20-21H,4-6,9-12,14-15H2,1-3H3,(H,27,32)(H,28,33)(H,34,35)(H,36,37)(H,38,39)/t20-,21-/m0/s1 |
| InChIKey | YSTNDPUOARKGRL-SFTDATJTSA-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 | 611.728 g/mol |
| Source File Reference | UWLU74102 |