| SpectraBase Compound ID | C7wOZNzQM57 |
|---|---|
| InChI | InChI=1S/C30H34ClF6N7O8S/c31-21-11-10-19(16-41-51-26(47)29(32,33)34)20(14-21)15-40-24(45)23-9-5-13-44(23)25(46)22(43-53(49,50)17-18-6-2-1-3-7-18)8-4-12-39-28(38)42-52-27(48)30(35,36)37/h1-3,6-7,10-11,14,22-23,41,43H,4-5,8-9,12-13,15-17H2,(H,40,45)(H3,38,39,42) |
| InChIKey | CUNPNPGUZYMZQW-UHFFFAOYSA-N |
| Mol Weight | 802.1 g/mol |
| Molecular Formula | C30H34ClF6N7O8S |
| Exact Mass | 801.178229 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 | J6MBqJ5UWBE |
|---|---|
| Name | BENZYLSULFONYL-D-ARGININYL-PROLINE-(2-AMINOMETHYL-5-CHLOROBENZYL)-AMIDE_BIS_(TRIFLUOROACETATE) |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H34ClF6N7O8S |
| InChI | InChI=1S/C30H34ClF6N7O8S/c31-21-11-10-19(16-41-51-26(47)29(32,33)34)20(14-21)15-40-24(45)23-9-5-13-44(23)25(46)22(43-53(49,50)17-18-6-2-1-3-7-18)8-4-12-39-28(38)42-52-27(48)30(35,36)37/h1-3,6-7,10-11,14,22-23,41,43H,4-5,8-9,12-13,15-17H2,(H,40,45)(H3,38,39,42) |
| InChIKey | CUNPNPGUZYMZQW-UHFFFAOYSA-N |
| Literature Reference Author | M.T.SISAY,T.STEINMETZER,M.STIRNBERG,E.MAURER,M.HAMMAMI,J.BAJ ORATH,M.GUETSCHOW |
| Literature Reference Citation | J.MED.CHEM.,53,5523(2010) |
| Literature Reference DOI | 10.1021/jm100183e |
| Molecular Weight | 802.145 g/mol |
| Solvent | D2O |
| Source File Reference | UWMZ47422 |