| SpectraBase Compound ID | E637DooSxXV |
|---|---|
| InChI | InChI=1S/C20H32N2O14S2/c21-37(30,31)10-3-1-9(2-4-10)5-6-22-38(32,33)20-17(29)15(27)18(12(8-24)35-20)36-19-16(28)14(26)13(25)11(7-23)34-19/h1-4,11-20,22-29H,5-8H2,(H2,21,30,31)/t11-,12-,13-,14+,15-,16-,17-,18-,19-,20+/m0/s1 |
| InChIKey | FYFKRJGCDVANBH-JZISJNAVSA-N |
| Mol Weight | 588.6 g/mol |
| Molecular Formula | C20H32N2O14S2 |
| Exact Mass | 588.129496 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1cZXmfdlC2d |
|---|---|
| Name | N-4-(AMINOSULFONYL)-PHENETHYL-S-(1-THIO-BETA-LACTOSYL)-SULFONAMIDE |
| Compound Number | 32 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H32N2O14S2 |
| InChI | InChI=1S/C20H32N2O14S2/c21-37(30,31)10-3-1-9(2-4-10)5-6-22-38(32,33)20-17(29)15(27)18(12(8-24)35-20)36-19-16(28)14(26)13(25)11(7-23)34-19/h1-4,11-20,22-29H,5-8H2,(H2,21,30,31)/t11-,12-,13-,14+,15-,16-,17-,18-,19-,20+/m0/s1 |
| InChIKey | FYFKRJGCDVANBH-JZISJNAVSA-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 | 588.599 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ46630 |