| SpectraBase Spectrum ID |
3llVEuXN2HQ |
| Name |
N-(2-Methyl-4H-3,1-benzoxazin-4-ylidene)-L-tryptophan methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
361.142641481 u |
| Formula |
C21H19N3O3 |
| InChI |
InChI=1S/C21H19N3O3/c1-13-23-18-10-6-4-8-16(18)20(27-13)24-19(21(25)26-2)11-14-12-22-17-9-5-3-7-15(14)17/h3-10,12,19,22H,11H2,1-2H3/b24-20-/t19-/m0/s1 |
| InChIKey |
XNMUUPJTQJMTIV-HDNKBODISA-N |
| Molecular Weight |
361.401 g/mol |
| SMILES |
C=1(O\C(C=2C(N1)=CC=CC2)=N\[C@](C(=O)OC)(CC1=CNC2=C1C=CC=C2)[H])C |
