| SpectraBase Compound ID | JBOirJaNyAM |
|---|---|
| InChI | InChI=1S/C23H30N6O7S/c1-15-4-2-3-5-19(15)37(35,36)28-23(34)29-10-7-16(8-11-29)21(31)25-9-6-20(30)27-18(22(32)33)12-17-13-24-14-26-17/h2-5,13-14,16,18H,6-12H2,1H3,(H,24,26)(H,25,31)(H,27,30)(H,28,34)(H,32,33) |
| InChIKey | JFOYHPAOYFSIMM-UHFFFAOYSA-N |
| Mol Weight | 534.59 g/mol |
| Molecular Formula | C23H30N6O7S |
| Exact Mass | 534.189668 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IpJyF7eJZWv |
|---|---|
| Name | 2-METHYLPHENYLSULFONYLUREIDO-ISONIPECOTYL-BETA-ALANYL-HISTIDINE |
| Compound Number | B-20 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C23H30N6O7S |
| InChI | InChI=1S/C23H30N6O7S/c1-15-4-2-3-5-19(15)37(35,36)28-23(34)29-10-7-16(8-11-29)21(31)25-9-6-20(30)27-18(22(32)33)12-17-13-24-14-26-17/h2-5,13-14,16,18H,6-12H2,1H3,(H,24,26)(H,25,31)(H,27,30)(H,28,34)(H,32,33) |
| InChIKey | JFOYHPAOYFSIMM-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 | 534.587 g/mol |
| Sample ID | 40923 |
| Solvent | DMSO-D6 |