| SpectraBase Spectrum ID |
FSJUAL3vnat |
| Name |
(2S)-2-(Tert-butoxycarbonylamino)-5-phenyl-pent-4-ynoic acid benzyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
379.178358285 u |
| Formula |
C23H25NO4 |
| InChI |
InChI=1S/C23H25NO4/c1-23(2,3)28-22(26)24-20(16-10-15-18-11-6-4-7-12-18)21(25)27-17-19-13-8-5-9-14-19/h4-9,11-14,20H,16-17H2,1-3H3,(H,24,26)/t20-/m0/s1 |
| InChIKey |
FBLXTQQUXXXTNJ-FQEVSTJZSA-N |
| Molecular Weight |
379.456 g/mol |
| SMILES |
C(N[C@](C(OCC=1C=CC=CC1)=O)(CC#CC=1C=CC=CC1)[H])(OC(C)(C)C)=O |
