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CHEBI:201375 - Nitrocefin
| Formula | C21H16N4O8S2 |
| Net Charge | 0 |
| Average Mass | 516.513 |
| Monoisotopic Mass | 516.04096 |
| SMILES | O=C(Cc1cccs1)NC1C(=O)N2C(C(=O)O)=C(C=Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CSC12 |
| InChI | InChI=1S/C21H16N4O8S2/c26-16(9-14-2-1-7-34-14)22-17-19(27)23-18(21(28)29)12(10-35-20(17)23)4-3-11-5-6-13(24(30)31)8-15(11)25(32)33/h1-8,17,20H,9-10H2,(H,22,26)(H,28,29) |
| InChIKey | LHNIIDJCEODSHA-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Nitrocefin (CHEBI:201375) is a N-acyl-amino acid (CHEBI:51569) |
| IUPAC Name |
|---|
| (6R,7R)-3-[(E)-2-(2,4-dinitrophenyl)ethenyl]-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |