| SpectraBase Spectrum ID |
BJSjBo4pChe |
| Name |
Methyl (Z)-2-(N-Benzoyl-O-benzyl-L-seryl)-4-((tert-butoxycarbonyl)amino)-2-butenoate |
| Appearance |
Syrup |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
511.231850408 u |
| Formula |
C27H33N3O7 |
| InChI |
InChI=1S/C27H33N3O7/c1-27(2,3)37-26(34)28-16-15-21(25(33)35-4)29-24(32)22(18-36-17-19-11-7-5-8-12-19)30-23(31)20-13-9-6-10-14-20/h5-15,22H,16-18H2,1-4H3,(H,28,34)(H,29,32)(H,30,31)/b21-15-/t22-/m0/s1 |
| InChIKey |
YSCUPNNLMRIQTC-GYZZIOIESA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201703758 |
| Molecular Weight |
511.575 g/mol |
| Optical Rotation |
[a]D = +13 (c = 0.20, CHCl3) |
| Quality |
15 |
| SMILES |
N(C([C@](COCC1=CC=CC=C1)(NC(C1=CC=CC=C1)=O)[H])=O)\C(=C/CNC(OC(C)(C)C)=O)C(OC)=O |
| SPLASH |
splash10-0a4l-4900000000-bc414b0b1490ad2bbd1f |
| Sample Comments |
Z/E = 92:8 |
| Source of Spectrum |
QE-24-SM8-18d (DOI: 10.1002/chem.201703758) |
| Wiley ID |
1901486 |
