![tert-Butyl (2S)-trans-(Z)-1-(tert-butyloxycarbonyl)-5-[(3'-amino-(N-benzyloxycarbonyl)-3'-(methoxycarbonyl)-2'-propenyl]prolinate](/api/spectrum/1ly7eVfMgHu/structure.png?h=300&w=458 "tert-Butyl (2S)-trans-(Z)-1-(tert-butyloxycarbonyl)-5-[(3'-amino-(N-benzyloxycarbonyl)-3'-(methoxycarbonyl)-2'-propenyl]prolinate")
| SpectraBase Compound ID | H9pHnqs9g72 |
|---|---|
| InChI | InChI=1S/C27H38N2O8/c1-26(2,3)36-23(31)21-16-14-19(29(21)25(33)37-27(4,5)6)13-15-20(22(30)34-7)28-24(32)35-17-18-11-9-8-10-12-18/h8-12,15,19,21H,13-14,16-17H2,1-7H3,(H,28,32)/b20-15-/t19-,21+/m1/s1 |
| InChIKey | AOTVCINPQZJRRM-VWOSWCIOSA-N |
| Mol Weight | 518.6 g/mol |
| Molecular Formula | C27H38N2O8 |
| Exact Mass | 518.262816 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1ly7eVfMgHu |
|---|---|
| Name | tert-Butyl (2S)-trans-(Z)-1-(tert-butyloxycarbonyl)-5-[(3'-amino-(N-benzyloxycarbonyl)-3'-(methoxycarbonyl)-2'-propenyl]prolinate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H38N2O8 |
| InChI | InChI=1S/C27H38N2O8/c1-26(2,3)36-23(31)21-16-14-19(29(21)25(33)37-27(4,5)6)13-15-20(22(30)34-7)28-24(32)35-17-18-11-9-8-10-12-18/h8-12,15,19,21H,13-14,16-17H2,1-7H3,(H,28,32)/b20-15-/t19-,21+/m1/s1 |
| InChIKey | AOTVCINPQZJRRM-VWOSWCIOSA-N |
| Molecular Weight | 518.607 g/mol |
| SMILES | N(C(=O)OCc1ccccc1)\C(=C/C[C@]1(N(C(OC(C)(C)C)=O)[C@](C(OC(C)(C)C)=O)(CC1)[H])[H])C(=O)OC |
| SPLASH | splash10-0bt9-9672000000-3ff1c13b7d5103147765 |
| Source of Spectrum | F-56-4294-9 |
| Wiley ID | 857532 |