| SpectraBase Spectrum ID |
5d8BRGamnUI |
| Name |
(R,S)-2-[[3-(Cyanomethyl)-3,4-dihydro-4-oxo-2-quinazolinyl]thio]propionic acid |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H11N3O3S |
| InChI |
InChI=1S/C13H11N3O3S/c1-8(12(18)19)20-13-15-10-5-3-2-4-9(10)11(17)16(13)7-6-14/h2-5,8H,7H2,1H3,(H,18,19)/t8-/m1/s1 |
| InChIKey |
GRYROUBVMUGRFW-MRVPVSSYSA-N |
| Molecular Weight |
289.309 g/mol |
| SMILES |
OC([C@](SC=1N(C(=O)c2c(N1)cccc2)CC#N)(C)[H])=O |
| SPLASH |
splash10-03dr-0960000000-20e74056ba13698cbb88 |
| Source of Spectrum |
J-66-4725-4 |
| Synonyms |
(2R)-2-{[3-(cyanomethyl)-4-oxo-3,4-dihydro-2-quinazolinyl]sulfanyl}propanoic acid |
| Wiley ID |
1535571 |
![(R,S)-2-[[3-(Cyanomethyl)-3,4-dihydro-4-oxo-2-quinazolinyl]thio]propionic acid](/api/spectrum/5d8BRGamnUI/structure.png?h=300&w=458 "(R,S)-2-[[3-(Cyanomethyl)-3,4-dihydro-4-oxo-2-quinazolinyl]thio]propionic acid")
