| SpectraBase Compound ID | LEyY4WJz4kp |
|---|---|
| InChI | InChI=1S/C23H33N9O7S/c1-14-5-2-3-7-18(14)40(38,39)32-23(37)31-16(6-4-9-28-22(24)25)20(34)27-10-8-19(33)30-17(21(35)36)11-15-12-26-13-29-15/h2-3,5,7,12-13,16-17H,4,6,8-11H2,1H3,(H,26,29)(H,27,34)(H,30,33)(H,35,36)(H4,24,25,28)(H2,31,32,37) |
| InChIKey | VLPYOOZPTMUWCI-UHFFFAOYSA-N |
| Mol Weight | 579.6 g/mol |
| Molecular Formula | C23H33N9O7S |
| Exact Mass | 579.222366 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1FJUf9HB687 |
|---|---|
| Name | 2-METHYLPHENYLSULFONYLUREIDO-ARGINYL-BETA-ALANYL-HISTIDINE |
| Compound Number | B-11 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C23H33N9O7S |
| InChI | InChI=1S/C23H33N9O7S/c1-14-5-2-3-7-18(14)40(38,39)32-23(37)31-16(6-4-9-28-22(24)25)20(34)27-10-8-19(33)30-17(21(35)36)11-15-12-26-13-29-15/h2-3,5,7,12-13,16-17H,4,6,8-11H2,1H3,(H,26,29)(H,27,34)(H,30,33)(H,35,36)(H4,24,25,28)(H2,31,32,37) |
| InChIKey | VLPYOOZPTMUWCI-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 | 579.631 g/mol |
| Sample ID | 40922 |
| Solvent | DMSO-D6 |