| SpectraBase Spectrum ID |
kOFsJppNcD |
| Name |
Butanoic acid, 4-(methylthio)-2-[[[(1,2,3,9-tetrahydro-9-oxopyrrolo[2,1-B]quinazolin-7-yl)oxy]acetyl]amino]-, (2S)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
391.120191957 u |
| Formula |
C18H21N3O5S |
| InChI |
InChI=1S/C18H21N3O5S/c1-27-8-6-14(18(24)25)20-16(22)10-26-11-4-5-13-12(9-11)17(23)21-7-2-3-15(21)19-13/h4-5,9,14H,2-3,6-8,10H2,1H3,(H,20,22)(H,24,25) |
| InChIKey |
LLILCGVEUZRWGI-UHFFFAOYSA-N |
| Molecular Weight |
391.442 g/mol |
| SMILES |
OC(C(NC(COC=1C=C2C(N3C(=NC2=CC1)CCC3)=O)=O)CCSC)=O |
![butanoic acid, 4-(methylthio)-2-[[[(1,2,3,9-tetrahydro-9-oxopyrrolo[2,1-b]quinazolin-7-yl)oxy]acetyl]amino]-, (2S)-](/api/spectrum/kOFsJppNcD/structure.png?h=300&w=458 "butanoic acid, 4-(methylthio)-2-[[[(1,2,3,9-tetrahydro-9-oxopyrrolo[2,1-b]quinazolin-7-yl)oxy]acetyl]amino]-, (2S)-")
