![N-[2-(N-9-FLUORENYLMETHOXYCARBONYL)-AMINOETHYL]-N-[CARBOXYMETHYL-6-[2-(N,N'-BIS-Z-GUANIDINOETHOXY)]-PHENOXAZINE]-GLYCINE](/api/spectrum/7TDbpVLlQdx/structure.png?h=300&w=458 "N-[2-(N-9-FLUORENYLMETHOXYCARBONYL)-AMINOETHYL]-N-[CARBOXYMETHYL-6-[2-(N,N'-BIS-Z-GUANIDINOETHOXY)]-PHENOXAZINE]-GLYCINE")
| SpectraBase Compound ID | 3nkCnUFXZYx |
|---|---|
| InChI | InChI=1S/C50H46N8O12/c59-42(57(28-43(60)61)24-22-52-48(63)69-31-38-36-18-9-7-16-34(36)35-17-8-10-19-37(35)38)27-58-26-41-45(54-47(58)62)53-44-39(20-11-21-40(44)70-41)66-25-23-51-46(55-49(64)67-29-32-12-3-1-4-13-32)56-50(65)68-30-33-14-5-2-6-15-33/h1-21,26,38H,22-25,27-31H2,(H,52,63)(H,60,61)(H,53,54,62)(H2,51,55,56,64,65) |
| InChIKey | AIWBXGLHDFKUCY-UHFFFAOYSA-N |
| Mol Weight | 951.0 g/mol |
| Molecular Formula | C50H46N8O12 |
| Exact Mass | 950.323519 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7TDbpVLlQdx |
|---|---|
| Name | N-[2-(N-9-FLUORENYLMETHOXYCARBONYL)-AMINOETHYL]-N-[CARBOXYMETHYL-6-[2-(N,N'-BIS-Z-GUANIDINOETHOXY)]-PHENOXAZINE]-GLYCINE |
| Compound Number | 9B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H46N8O12 |
| InChI | InChI=1S/C50H46N8O12/c59-42(57(28-43(60)61)24-22-52-48(63)69-31-38-36-18-9-7-16-34(36)35-17-8-10-19-37(35)38)27-58-26-41-45(54-47(58)62)53-44-39(20-11-21-40(44)70-41)66-25-23-51-46(55-49(64)67-29-32-12-3-1-4-13-32)56-50(65)68-30-33-14-5-2-6-15-33/h1-21,26,38H,22-25,27-31H2,(H,52,63)(H,60,61)(H,53,54,62)(H2,51,55,56,64,65) |
| InChIKey | AIWBXGLHDFKUCY-UHFFFAOYSA-N |
| Literature Reference Author | C.AUSIN,J.A.ORTEGA,J.ROBLES,A.GRANDAS,E.PEDROSO |
| Literature Reference Citation | ORG.LETTERS,4,4073(2002) |
| Literature Reference DOI | 10.1021/ol026815p |
| Molecular Weight | 950.962 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ25146 |