| SpectraBase Compound ID | C3hS9gNPBKZ |
|---|---|
| InChI | InChI=1S/C18H21FN6O7S/c19-11-1-3-13(4-2-11)33(31,32)25-18(30)22-9-16(27)21-6-5-15(26)24-14(17(28)29)7-12-8-20-10-23-12/h1-4,8,10,14H,5-7,9H2,(H,20,23)(H,21,27)(H,24,26)(H,28,29)(H2,22,25,30) |
| InChIKey | OPPIQLUHOPKWGA-UHFFFAOYSA-N |
| Mol Weight | 484.46 g/mol |
| Molecular Formula | C18H21FN6O7S |
| Exact Mass | 484.117646 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ComWq9iGx5y |
|---|---|
| Name | 4-FLUOROPHENYLSULFONYLUREIDO-GLYCYL-BETA-ALANYL-HISTIDINE |
| Compound Number | A-1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C18H21FN6O7S |
| InChI | InChI=1S/C18H21FN6O7S/c19-11-1-3-13(4-2-11)33(31,32)25-18(30)22-9-16(27)21-6-5-15(26)24-14(17(28)29)7-12-8-20-10-23-12/h1-4,8,10,14H,5-7,9H2,(H,20,23)(H,21,27)(H,24,26)(H,28,29)(H2,22,25,30) |
| InChIKey | OPPIQLUHOPKWGA-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 | 484.459 g/mol |
| Sample ID | 40920 |
| Solvent | DMSO-D6 |