| SpectraBase Spectrum ID |
LfK7n4XyOgg |
| Name |
L-Histidine, N-benzoyl-3-(2-hydroxypropyl-1,1,3,3,3-d5)-, methyl ester |
| CAS Registry Number |
87867-11-6 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H16D5N3O4 |
| InChI |
InChI=1S/C17H21N3O4/c1-12(21)10-20-11-18-9-14(20)8-15(17(23)24-2)19-16(22)13-6-4-3-5-7-13/h3-7,9,11-12,15,21H,8,10H2,1-2H3,(H,19,22)/t12?,15-/m0/s1/i1D3,10D2 |
| InChIKey |
IJXAQXRWSUZXCT-NEHIWUJJSA-N |
| Molecular Weight |
336.403 g/mol |
| SMILES |
N(C(=O)c1ccccc1)[C@@](Cc1[n](C(C(O)C([2D])([2D])[2D])([2D])[2D])cnc1)(C(=O)OC)[H] |
| SPLASH |
splash10-000i-0009000000-080402f58c27b50e5f5c |
| Source of Spectrum |
KC-1983-1215-0 |
| Synonyms |
Methyl ester of n(.alpha.)-benzoly-n(.tau.)-(2-hydroxy[2H5]propyl)histidine |
| Wiley ID |
1328651 |
