![Methyl 2-[(S)-2-tert-butoxycarbonylamino-4-methylpentanoylamino]-3-(3,4-dibenzyloxyphenyl)propenoate](/api/spectrum/BiteQNnEDLq/structure.png?h=300&w=458 "Methyl 2-[(S)-2-tert-butoxycarbonylamino-4-methylpentanoylamino]-3-(3,4-dibenzyloxyphenyl)propenoate")
| SpectraBase Compound ID | BZfyDwzUtXk |
|---|---|
| InChI | InChI=1S/C35H42N2O7/c1-24(2)19-28(37-34(40)44-35(3,4)5)32(38)36-29(33(39)41-6)20-27-17-18-30(42-22-25-13-9-7-10-14-25)31(21-27)43-23-26-15-11-8-12-16-26/h7-18,20-21,24,28H,19,22-23H2,1-6H3,(H,36,38)(H,37,40)/b29-20+/t28-/m0/s1 |
| InChIKey | ZHXGGKOHZZJOBZ-YXCSQOMQSA-N |
| Mol Weight | 602.7 g/mol |
| Molecular Formula | C35H42N2O7 |
| Exact Mass | 602.299202 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BiteQNnEDLq |
|---|---|
| Name | Methyl 2-[(S)-2-tert-butoxycarbonylamino-4-methylpentanoylamino]-3-(3,4-dibenzyloxyphenyl)propenoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C35H42N2O7 |
| InChI | InChI=1S/C35H42N2O7/c1-24(2)19-28(37-34(40)44-35(3,4)5)32(38)36-29(33(39)41-6)20-27-17-18-30(42-22-25-13-9-7-10-14-25)31(21-27)43-23-26-15-11-8-12-16-26/h7-18,20-21,24,28H,19,22-23H2,1-6H3,(H,36,38)(H,37,40)/b29-20+/t28-/m0/s1 |
| InChIKey | ZHXGGKOHZZJOBZ-YXCSQOMQSA-N |
| Molecular Weight | 602.728 g/mol |
| SMILES | N(C([C@@](NC(OC(C)(C)C)=O)(CC(C)C)[H])=O)\C(=C\c1cc(OCc2ccccc2)c(cc1)OCc1ccccc1)C(=O)OC |
| SPLASH | splash10-0pbi-4900042000-8877b0e51dbf12a3d529 |
| Source of Spectrum | QE-6-2166-18 |
| Wiley ID | 844714 |