![Pentanamide, 2-(dimethylamino)-N-[1-(1H-indol-3-ylmethyl)-2-[3,3a,11,12,13,14,15,15a-octahydro-13-(1-methylpropyl)-12,15-dioxo-5,8-ethenopyrrolo[3,2-b][1,5,8]oxadiazacyclotetradecin-1(2H)-yl]-2-oxoethyl]-4-methyl-](/api/spectrum/LX5EY2qVhAr/structure.png?h=300&w=458 "Pentanamide, 2-(dimethylamino)-N-[1-(1H-indol-3-ylmethyl)-2-[3,3a,11,12,13,14,15,15a-octahydro-13-(1-methylpropyl)-12,15-dioxo-5,8-ethenopyrrolo[3,2-b][1,5,8]oxadiazacyclotetradecin-1(2H)-yl]-2-oxoethyl]-4-methyl-")
| SpectraBase Compound ID | A74EG1khjUI |
|---|---|
| InChI | InChI=1S/C38H50N6O5/c1-7-24(4)33-36(46)39-18-16-25-12-14-27(15-13-25)49-32-17-19-44(34(32)37(47)42-33)38(48)30(41-35(45)31(43(5)6)20-23(2)3)21-26-22-40-29-11-9-8-10-28(26)29/h8-16,18,22-24,30-34,40H,7,17,19-21H2,1-6H3,(H,39,46)(H,41,45)(H,42,47)/b18-16- |
| InChIKey | GAIJJGBWWFCJPU-VLGSPTGOSA-N |
| Mol Weight | 670.9 g/mol |
| Molecular Formula | C38H50N6O5 |
| Exact Mass | 670.384269 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LX5EY2qVhAr |
|---|---|
| Name | Amphibin-E |
| CAS Registry Number | 38541-75-2 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C38H50N6O5 |
| InChI | InChI=1S/C38H50N6O5/c1-7-24(4)33-36(46)39-18-16-25-12-14-27(15-13-25)49-32-17-19-44(34(32)37(47)42-33)38(48)30(41-35(45)31(43(5)6)20-23(2)3)21-26-22-40-29-11-9-8-10-28(26)29/h8-16,18,22-24,30-34,40H,7,17,19-21H2,1-6H3,(H,39,46)(H,41,45)(H,42,47)/b18-16- |
| InChIKey | GAIJJGBWWFCJPU-VLGSPTGOSA-N |
| Literature Reference | Liebigs Ann. Chem. 447 (1980). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |