| SpectraBase Compound ID | J2rxhIUCzgy |
|---|---|
| InChI | InChI=1S/C32H29IN6O6/c1-18-36-25-10-8-20(33)13-23(25)31(43)39(18)22-9-11-28(40)24(15-22)29(41)37-26(14-21-16-34-17-35-21)30(42)38-27(32(44)45-2)12-19-6-4-3-5-7-19/h3-11,13,15-17,26-27,40H,12,14H2,1-2H3,(H,34,35)(H,37,41)(H,38,42) |
| InChIKey | NGZOFBQSNOVXOK-UHFFFAOYSA-N |
| Mol Weight | 720.5 g/mol |
| Molecular Formula | C32H29IN6O6 |
| Exact Mass | 720.119328 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8rwIMXqVgto |
|---|---|
| Name | 2-HYDROXY-5-(6-IODO-2-METHYL-4-OXO-3,4-DIHYDRO-3-QUINAZOLINYL)-BENZOYL-HISTIDINYL-PHENYLALANINE-METHYLESTER |
| Compound Number | 5E |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H29IN6O6 |
| InChI | InChI=1S/C32H29IN6O6/c1-18-36-25-10-8-20(33)13-23(25)31(43)39(18)22-9-11-28(40)24(15-22)29(41)37-26(14-21-16-34-17-35-21)30(42)38-27(32(44)45-2)12-19-6-4-3-5-7-19/h3-11,13,15-17,26-27,40H,12,14H2,1-2H3,(H,34,35)(H,37,41)(H,38,42) |
| InChIKey | NGZOFBQSNOVXOK-UHFFFAOYSA-N |
| Literature Reference Author | R.DAHIYA,A.KUMAR,R.YADAV |
| Literature Reference Citation | MOLECULES,13,958(2008) |
| Literature Reference DOI | 10.3390/molecules13040958 |
| Molecular Weight | 720.523 g/mol |
| Sample ID | 38544 |
| Solvent | CDCl3 |