| SpectraBase Compound ID | I9zotHFx6w8 |
|---|---|
| InChI | InChI=1S/C34H38N4O7/c1-22(30(39)37-28(20-24-12-6-3-7-13-24)32(41)36-27-18-19-44-34(27)43)35-33(42)29(38-31(40)26-16-10-5-11-17-26)23(2)45-21-25-14-8-4-9-15-25/h3-17,22-23,27-29H,18-21H2,1-2H3,(H,35,42)(H,36,41)(H,37,39)(H,38,40)/t22-,23+,27-,28-,29-/m0/s1 |
| InChIKey | DATCGYVNVMCAKB-AJRHGHNLSA-N |
| Mol Weight | 614.7 g/mol |
| Molecular Formula | C34H38N4O7 |
| Exact Mass | 614.27405 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LHGd8zqTmF4 |
|---|---|
| Name | N-(N-benzoyl-(O-benzyl-L-threonyl)-L-alanyl-L-phenylalanyl)-L-homoserine lactone |
| Appearance | Yellowish foamy solid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C34H38N4O7 |
| InChI | InChI=1S/C34H38N4O7/c1-22(30(39)37-28(20-24-12-6-3-7-13-24)32(41)36-27-18-19-44-34(27)43)35-33(42)29(38-31(40)26-16-10-5-11-17-26)23(2)45-21-25-14-8-4-9-15-25/h3-17,22-23,27-29H,18-21H2,1-2H3,(H,35,42)(H,36,41)(H,37,39)(H,38,40)/t22-,23+,27-,28-,29-/m0/s1 |
| InChIKey | DATCGYVNVMCAKB-AJRHGHNLSA-N |
| Ionization Type | EI |
| Molecular Weight | 614.699 g/mol |
| Optical Rotation | [a]D = -19.44 (c = 0.42, CHCl3) |
| Reported Formula | C34H38N4O7 |
| SMILES | N(C(=O)c1ccccc1)[C@](C(=O)N[C@](C(N[C@](C(N[C@]1(CCOC1=O)[H])=O)(Cc1ccccc1)[H])=O)(C)[H])([C@](OCc1ccccc1)(C)[H])[H] |
| SPLASH | splash10-0a4l-7900000000-f42f6d6aa8ec3fbf21a8 |
| Source of Spectrum | WO2014125145A1 |
| Wiley ID | 1850062 |