| SpectraBase Spectrum ID |
JjKtbWcAxlN |
| Name |
DL-Valine, 3-mercapto-N-[[5-oxo-2-(phenoxymethyl)-4(5H)-oxazolylidene]methyl]- |
| Alternate Name(s) |
DL-phenoxymethylpenicillenic acid
N-[(Z)-(5-oxo-2-(phenoxymethyl)-1,3-oxazol-4(5H)-ylidene)methyl]-3-sulfanylvaline |
| CAS Registry Number |
51703-49-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H18N2O5S |
| InChI |
InChI=1S/C16H18N2O5S/c1-16(2,24)13(14(19)20)17-8-11-15(21)23-12(18-11)9-22-10-6-4-3-5-7-10/h3-8,13,17,24H,9H2,1-2H3,(H,19,20)/b11-8- |
| InChIKey |
UGICBNWQQRTXIP-FLIBITNWSA-N |
| Molecular Weight |
350.389 g/mol |
| SMILES |
N(C(C(S)(C)C)C(=O)O)\C=C\1N=C(COc2ccccc2)OC1=O |
| SPLASH |
splash10-056r-9800000000-4f553f94b0dbeb6ff67d |
| Source of Spectrum |
Y-10-939-14 |
| Wiley ID |
1341749 |
![DL-Valine, 3-mercapto-N-[[5-oxo-2-(phenoxymethyl)-4(5H)-oxazolylidene]methyl]-](/api/spectrum/JjKtbWcAxlN/structure.png?h=300&w=458 "DL-Valine, 3-mercapto-N-[[5-oxo-2-(phenoxymethyl)-4(5H)-oxazolylidene]methyl]-")
