| SpectraBase Compound ID | IAg1O56mUy6 |
|---|---|
| InChI | InChI=1S/C37H46N4O6/c1-22-18-27(42)19-23(2)29(22)21-32(37(46)47)41-34(43)28-16-10-11-17-30(28)39-35(44)31(20-25-12-6-4-7-13-25)40-36(45)33(38)24(3)26-14-8-5-9-15-26/h4-9,12-15,18-19,24,28,30-33,42H,10-11,16-17,20-21,38H2,1-3H3,(H,39,44)(H,40,45)(H,41,43)(H,46,47) |
| InChIKey | KOEUMLHZQNSPKJ-UHFFFAOYSA-N |
| Mol Weight | 642.8 g/mol |
| Molecular Formula | C37H46N4O6 |
| Exact Mass | 642.341735 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5Dw0fKSMvd5 |
|---|---|
| Name | DMT-(1-S,2-R)-ACHC-PHE-(2-S,3-S)-BETA-ME-PHE-NH2 |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H46N4O6 |
| InChI | InChI=1S/C37H46N4O6/c1-22-18-27(42)19-23(2)29(22)21-32(37(46)47)41-34(43)28-16-10-11-17-30(28)39-35(44)31(20-25-12-6-4-7-13-25)40-36(45)33(38)24(3)26-14-8-5-9-15-26/h4-9,12-15,18-19,24,28,30-33,42H,10-11,16-17,20-21,38H2,1-3H3,(H,39,44)(H,40,45)(H,41,43)(H,46,47) |
| InChIKey | KOEUMLHZQNSPKJ-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 | 642.795 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ48169 |