| SpectraBase Compound ID | 1TGb5VqlFTN |
|---|---|
| InChI | InChI=1S/C19H30N2O14S2/c20-36(29,30)9-3-1-8(2-4-9)5-21-37(31,32)19-16(28)14(26)17(11(7-23)34-19)35-18-15(27)13(25)12(24)10(6-22)33-18/h1-4,10-19,21-28H,5-7H2,(H2,20,29,30)/t10-,11-,12-,13+,14-,15-,16-,17-,18-,19+/m0/s1 |
| InChIKey | ZXNZJJJMUZHRHM-CFIGZWGMSA-N |
| Mol Weight | 574.57 g/mol |
| Molecular Formula | C19H30N2O14S2 |
| Exact Mass | 574.113846 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5a1OQl6DynO |
|---|---|
| Name | N-4-(AMINOSULFONYL)-BENZYL-S-(1-THIO-BETA-LACTOSYL)-SULFONAMIDE |
| Compound Number | 17 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C19H30N2O14S2 |
| InChI | InChI=1S/C19H30N2O14S2/c20-36(29,30)9-3-1-8(2-4-9)5-21-37(31,32)19-16(28)14(26)17(11(7-23)34-19)35-18-15(27)13(25)12(24)10(6-22)33-18/h1-4,10-19,21-28H,5-7H2,(H2,20,29,30)/t10-,11-,12-,13+,14-,15-,16-,17-,18-,19+/m0/s1 |
| InChIKey | ZXNZJJJMUZHRHM-CFIGZWGMSA-N |
| Literature Reference Author | M.LOPEZ,L.F.BORNAGHI,A.INNOCENTI,D.VULLO,S.A.CHARMAN,C.T.SUP URAN,S.A.POULSEN |
| Literature Reference Citation | J.MED.CHEM.,53,2913(2010) |
| Literature Reference DOI | 10.1021/jm901888x |
| Molecular Weight | 574.572 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ46624 |