| SpectraBase Spectrum ID |
GtCP27iaD8f |
| Name |
(S)-2-Benzoylamino-propionic acid (1R,2R)-2-iodo-cyclohexyl ester |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H20INO3 |
| InChI |
InChI=1S/C16H20INO3/c1-11(18-15(19)12-7-3-2-4-8-12)16(20)21-14-10-6-5-9-13(14)17/h2-4,7-8,11,13-14H,5-6,9-10H2,1H3,(H,18,19)/t11-,13+,14+/m0/s1 |
| InChIKey |
RDDQZTJFXCGMNT-IACUBPJLSA-N |
| Molecular Weight |
401.244 g/mol |
| SMILES |
N(C(=O)c1ccccc1)[C@](C(O[C@]1([C@](I)(CCCC1)[H])[H])=O)(C)[H] |
| SPLASH |
splash10-0udi-0000900000-bdde8088a5325ea1621d |
| Source of Spectrum |
OL-6-3614-4 |
| Synonyms |
(1R,2R)-2-iodocyclohexyl (2S)-2-(benzoylamino)propanoate
2'-Iodocyclohexyl 2-(N-benzylamino)propanoate |
| Wiley ID |
1577698 |
