| SpectraBase Compound ID | 46kmlmbr1bT |
|---|---|
| InChI | InChI=1S/C24H28FN9O8S/c25-14-1-3-17(4-2-14)43(41,42)34-24(40)29-11-21(36)32-18(7-15-9-26-12-30-15)22(37)28-6-5-20(35)33-19(23(38)39)8-16-10-27-13-31-16/h1-4,9-10,12-13,18-19H,5-8,11H2,(H,26,30)(H,27,31)(H,28,37)(H,32,36)(H,33,35)(H,38,39)(H2,29,34,40) |
| InChIKey | SJKUACYJIZHRQV-UHFFFAOYSA-N |
| Mol Weight | 621.6 g/mol |
| Molecular Formula | C24H28FN9O8S |
| Exact Mass | 621.176558 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | EFXNN3o6MPN |
|---|---|
| Name | 4-FLUOROPHENYLSULFONYLUREIDO-GLYCYL-HISTIDYL-BETA-ALANYL-HISTIDINE |
| Compound Number | A-21 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C24H28FN9O8S |
| InChI | InChI=1S/C24H28FN9O8S/c25-14-1-3-17(4-2-14)43(41,42)34-24(40)29-11-21(36)32-18(7-15-9-26-12-30-15)22(37)28-6-5-20(35)33-19(23(38)39)8-16-10-27-13-31-16/h1-4,9-10,12-13,18-19H,5-8,11H2,(H,26,30)(H,27,31)(H,28,37)(H,32,36)(H,33,35)(H,38,39)(H2,29,34,40) |
| InChIKey | SJKUACYJIZHRQV-UHFFFAOYSA-N |
| Literature Reference Author | A.SCOZZAFAVA,C.T.SUPURAN |
| Literature Reference Citation | J.MED.CHEM.,45,284(2002) |
| Literature Reference DOI | 10.1021/jm010958k |
| Molecular Weight | 621.600 g/mol |
| Sample ID | 40921 |
| Solvent | DMSO-D6 |