SpectraBase Spectrum ID |
J5jyAprsHPq |
Name |
(Z)-N-Tert-butoxycarbonyl-2-ethoxycarbonyldehydrotryptophan methyl ester |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
388.163436495 u |
Formula |
C20H24N2O6 |
InChI |
InChI=1S/C20H24N2O6/c1-6-27-18(24)16-13(12-9-7-8-10-14(12)21-16)11-15(17(23)26-5)22-19(25)28-20(2,3)4/h7-11,21H,6H2,1-5H3,(H,22,25)/b15-11- |
InChIKey |
TXNUQYKEGANUIQ-PTNGSMBKSA-N |
Molecular Weight |
388.420 g/mol |
SMILES |
C1(=C(NC=2C1=CC=CC2)C(=O)OCC)\C=C\(NC(OC(C)(C)C)=O)C(=O)OC |