| SpectraBase Spectrum ID |
1Imwhwl7m5Y |
| Name |
(2S)-2-(2,2-dimethyl-4-oxidanylidene-3-propan-2-yl-1,3-diazetidin-1-yl)-3-(5-oxidanyl-1H-indol-3-yl)propanoic acid |
| CAS Registry Number |
116246-46-9 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H23N3O4 |
| InChI |
InChI=1S/C18H23N3O4/c1-10(2)20-17(25)21(18(20,3)4)15(16(23)24)7-11-9-19-14-6-5-12(22)8-13(11)14/h5-6,8-10,15,19,22H,7H2,1-4H3,(H,23,24)/t15-/m0/s1 |
| InChIKey |
HOKUFYMNNZFIHE-HNNXBMFYSA-N |
| Molecular Weight |
345.399 g/mol |
| SMILES |
Oc1ccc2c(c(c[nH]2)C[C@](N2C(=O)N(C2(C)C)C(C)C)(C(=O)O)[H])c1 |
| SPLASH |
splash10-0002-0900000000-c4efa98f5bd5a907b6bf |
| Source of Spectrum |
Y-24-1727-10 |
| Synonyms |
(2S)-2-(2,2-dimethyl-4-oxo-3-propan-2-yl-1,3-diazetidin-1-yl)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid
(2S)-3-(5-hydroxy-1H-indol-3-yl)-2-(3-isopropyl-2,2-dimethyl-4-oxo-1,3-diazetidin-1-yl)propanoic acid
(2S)-3-(5-hydroxy-1H-indol-3-yl)-2-(3-isopropyl-4-keto-2,2-dimethyl-1,3-diazetidin-1-yl)propionic acid |
| Wiley ID |
1338640 |
