| SpectraBase Spectrum ID |
D83CjijhzRe |
| Name |
tert-Butyl {(1S,2R,3E)-1-benzyl-2-hydroxy-5-[(phenoxyacetyl)amino]pent-3-en-1-yl} carbamate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
440.231122133 u |
| Formula |
C25H32N2O5 |
| InChI |
InChI=1S/C25H32N2O5/c1-25(2,3)32-24(30)27-21(17-19-11-6-4-7-12-19)22(28)15-10-16-26-23(29)18-31-20-13-8-5-9-14-20/h4-15,21-22,28H,16-18H2,1-3H3,(H,26,29)(H,27,30)/b15-10+/t21-,22+/m0/s1 |
| InChIKey |
AORVNBRAFFJSJB-MSXSPVLUSA-N |
| Instrument Name |
VG 7070 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3998/ark.5550190.0004.e13 |
| Molecular Weight |
440.540 g/mol |
| Optical Rotation |
[a]D25 = -41 (c = 0.29) |
| Quality |
8 |
| SMILES |
N(C(OC(C)(C)C)=O)[C@]([C@@](\C=C\CNC(COC1=CC=CC=C1)=O)(O)[H])(CC1=CC=CC=C1)[H] |
| SPLASH |
splash10-0fk9-0491000000-0af1fa1e4800cd9c8cdc |
| Source of Spectrum |
ARK-2003-151-(1S,2R)-17b (DOI: 10.3998/ark.5550190.0004.e13) |
| Wiley ID |
1899802 |
![tert-Butyl {(1S,2R,3E)-1-benzyl-2-hydroxy-5-[(phenoxyacetyl)amino]pent-3-en-1-yl} carbamate](/api/spectrum/D83CjijhzRe/structure.png?h=300&w=458 "tert-Butyl {(1S,2R,3E)-1-benzyl-2-hydroxy-5-[(phenoxyacetyl)amino]pent-3-en-1-yl} carbamate")
