EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:92376 - (3S)-4-oxo-3-propan-2-yl-3-(3-thiophenyl)diazetidine-1,2-dicarboxylic acid dimethyl ester
| Formula | C13H16N2O5S |
| Net Charge | 0 |
| Average Mass | 312.347 |
| Monoisotopic Mass | 312.07799 |
| SMILES | COC(=O)N1C(=O)[C@@](c2ccsc2)(C(C)C)N1C(=O)OC |
| InChI | InChI=1S/C13H16N2O5S/c1-8(2)13(9-5-6-21-7-9)10(16)14(11(17)19-3)15(13)12(18)20-4/h5-8H,1-4H3/t13-/m0/s1 |
| InChIKey | JVWBEDOJCYZLKX-ZDUSSCGKSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (3S)-4-oxo-3-propan-2-yl-3-(3-thiophenyl)diazetidine-1,2-dicarboxylic acid dimethyl ester (CHEBI:92376) has functional parent α-amino acid (CHEBI:33704) |
| (3S)-4-oxo-3-propan-2-yl-3-(3-thiophenyl)diazetidine-1,2-dicarboxylic acid dimethyl ester (CHEBI:92376) is a organonitrogen compound (CHEBI:35352) |
| (3S)-4-oxo-3-propan-2-yl-3-(3-thiophenyl)diazetidine-1,2-dicarboxylic acid dimethyl ester (CHEBI:92376) is a organooxygen compound (CHEBI:36963) |
| Manual Xrefs | Databases |
|---|---|
| LSM-2463 | LINCS |