| SpectraBase Spectrum ID |
qs76Bqts90 |
| Name |
(2S)-2-(3-ethyl-2,2-dimethyl-4-oxidanylidene-1,3-diazetidin-1-yl)-3-(5-oxidanyl-1H-indol-3-yl)propanoic acid |
| CAS Registry Number |
116246-44-7 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H21N3O4 |
| InChI |
InChI=1S/C17H21N3O4/c1-4-19-16(24)20(17(19,2)3)14(15(22)23)7-10-9-18-13-6-5-11(21)8-12(10)13/h5-6,8-9,14,18,21H,4,7H2,1-3H3,(H,22,23)/t14-/m0/s1 |
| InChIKey |
UDPZHZAJMFSQKT-AWEZNQCLSA-N |
| Molecular Weight |
331.372 g/mol |
| SMILES |
Oc1ccc2c(c(c[nH]2)C[C@](N2C(=O)N(C2(C)C)CC)(C(=O)O)[H])c1 |
| SPLASH |
splash10-0002-0900000000-add9be160a2da2133daf |
| Source of Spectrum |
Y-24-1726-8 |
| Synonyms |
(2S)-2-(3-ethyl-2,2-dimethyl-4-oxo-1,3-diazetidin-1-yl)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid
(2S)-2-(3-ethyl-4-keto-2,2-dimethyl-1,3-diazetidin-1-yl)-3-(5-hydroxy-1H-indol-3-yl)propionic acid |
| Wiley ID |
1328642 |
