![2-[bis[2-[carboxymethyl-[2-keto-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]amino]ethyl]amino]acetic acid](/api/spectrum/r2aDuDbJfq/structure.png?h=300&w=458 "2-[bis[2-[carboxymethyl-[2-keto-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]amino]ethyl]amino]acetic acid")
| SpectraBase Compound ID | FynbVs356Nj |
|---|---|
| InChI | InChI=1S/C30H43N7O12S2/c31-50(46,47)24-5-1-22(2-6-24)9-11-33-26(38)17-36(20-29(42)43)15-13-35(19-28(40)41)14-16-37(21-30(44)45)18-27(39)34-12-10-23-3-7-25(8-4-23)51(32,48)49/h1-8H,9-21H2,(H,33,38)(H,34,39)(H,40,41)(H,42,43)(H,44,45)(H2,31,46,47)(H2,32,48,49) |
| InChIKey | GTBRQIOYGMBQQS-UHFFFAOYSA-N |
| Mol Weight | 757.8 g/mol |
| Molecular Formula | C30H43N7O12S2 |
| Exact Mass | 757.241112 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 | r2aDuDbJfq |
|---|---|
| Name | 2-[bis[2-[carboxymethyl-[2-keto-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]amino]ethyl]amino]acetic acid |
| Compound Number | 5F2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H43N7O12S2 |
| InChI | InChI=1S/C30H43N7O12S2/c31-50(46,47)24-5-1-22(2-6-24)9-11-33-26(38)17-36(20-29(42)43)15-13-35(19-28(40)41)14-16-37(21-30(44)45)18-27(39)34-12-10-23-3-7-25(8-4-23)51(32,48)49/h1-8H,9-21H2,(H,33,38)(H,34,39)(H,40,41)(H,42,43)(H,44,45)(H2,31,46,47)(H2,32,48,49) |
| InChIKey | GTBRQIOYGMBQQS-UHFFFAOYSA-N |
| Literature Reference Author | A.SCOZZAFAVA,L.MENABUONI,F.MINCIONE,C.T.SUPURAN |
| Literature Reference Citation | J.MED.CHEM.,45,1466(2002) |
| Literature Reference DOI | 10.1021/jm0108202 |
| Molecular Weight | 757.831 g/mol |
| Sample ID | 40936 |
| Solvent | D2O:KOD |