| SpectraBase Compound ID | 3ctvn1IPdAu |
|---|---|
| InChI | InChI=1S/C35H42N4O6/c1-22(25-12-6-3-7-13-25)31(36)34(43)38-29(20-23-10-4-2-5-11-23)33(42)37-28-15-9-8-14-27(28)32(41)39-30(35(44)45)21-24-16-18-26(40)19-17-24/h2-7,10-13,16-19,22,27-31,40H,8-9,14-15,20-21,36H2,1H3,(H,37,42)(H,38,43)(H,39,41)(H,44,45) |
| InChIKey | JAPLXDCNVDCTDJ-UHFFFAOYSA-N |
| Mol Weight | 614.7 g/mol |
| Molecular Formula | C35H42N4O6 |
| Exact Mass | 614.310435 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1CgfP74F9om |
|---|---|
| Name | TYR-(1-S,2-R)-ACHC-PHE-(2-S,3-S)-BETA-ME-PHE-NH2 |
| Compound Number | 10 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H42N4O6 |
| InChI | InChI=1S/C35H42N4O6/c1-22(25-12-6-3-7-13-25)31(36)34(43)38-29(20-23-10-4-2-5-11-23)33(42)37-28-15-9-8-14-27(28)32(41)39-30(35(44)45)21-24-16-18-26(40)19-17-24/h2-7,10-13,16-19,22,27-31,40H,8-9,14-15,20-21,36H2,1H3,(H,37,42)(H,38,43)(H,39,41)(H,44,45) |
| InChIKey | JAPLXDCNVDCTDJ-UHFFFAOYSA-N |
| Literature Reference Author | J.R.MALLAREDDY,A.BORICS,A.KERESZTES,K.E.KOEVER,D.TOURWE,G.TO TH |
| Literature Reference Citation | J.MED.CHEM.,54,1462(2011) |
| Literature Reference DOI | 10.1021/jm101515v |
| Molecular Weight | 614.742 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ48168 |