Compound Identification
SMILES
OC(=O)C1=C(CS[C@H]2C(NC(=O)CC3=CC=CC=C3)C(=O)[N+]12CS)N1C=CN=N1
InChIKey
InChIKey=AHXHKEVISCLGRU-LPLFELETSA-O
Formula
C18H18N5O4S2
Mass
432.49
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Lactams
-
Subclass
Beta lactams
-
Level 5
Cephems
- Level 6 Cephalosporins
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Level 5
Cephems
-
Subclass
Beta lactams
-
Class
Lactams
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Lactams
Subclass
Beta lactams
Intermediate Tree Nodes
Cephems
Direct Parent
Cephalosporins
Alternative Parents
N-acyl-alpha amino acids and derivatives Phenylacetamides 1,3-thiazines Vinylogous amides Triazoles Quaternary ammonium salts Heteroaromatic compounds Secondary carboxylic acid amides Azetidines Alkylthiols Azacyclic compounds Carboxylic acids Dialkylthioethers Monocarboxylic acids and derivatives Organic oxides Carbonyl compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Phenylacetamide - Meta-thiazine - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Vinylogous amide - 1,2,3-triazole - Quaternary ammonium salt - Azetidine - Carboxamide group - Secondary carboxylic acid amide - Alkylthiol - Azacycle - Dialkylthioether - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Thioether - Organic oxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cephalosporins. These are compounds containing a 1,2-thiazine fused to a 2-azetidinone to for a oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid moiety or a derivative thereof.
External Descriptors
Not available