Compound Identification
SMILES
N[C@@H](C(=O)NC1C2CCC(Cl)=C(N2C1=O)C(O)=O)C1=CC=CC=C1
InChIKey
InChIKey=JAPHQRWPEGVNBT-MOENNCHZSA-N
Formula
C16H16ClN3O4
Mass
349.77
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Lactams
-
Subclass
Beta lactams
- Level 5 Carbacephems
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Subclass
Beta lactams
-
Class
Lactams
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Lactams
Subclass
Beta lactams
Intermediate Tree Nodes
Not available
Direct Parent
Carbacephems
Alternative Parents
N-acyl-alpha amino acids and derivatives Alpha amino acid amides Phenylacetamides Tetrahydropyridines Aralkylamines Vinylogous halides Tertiary carboxylic acid amides Secondary carboxylic acid amides Amino acids Azetidines Vinyl chlorides Azacyclic compounds Carboxylic acids Chloroalkenes Monocarboxylic acids and derivatives Carbonyl compounds Organochlorides Organopnictogen compounds Hydrocarbon derivatives Monoalkylamines Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Carbacephem - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - Phenylacetamide - Tetrahydropyridine - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Vinylogous halide - Amino acid or derivatives - Azetidine - Carboxamide group - Amino acid - Secondary carboxylic acid amide - Haloalkene - Chloroalkene - Vinyl halide - Vinyl chloride - Azacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic nitrogen compound - Primary aliphatic amine - Organohalogen compound - Organochloride - Amine - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Primary amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as carbacephems. These are a new class of beta-lactam antibiotics similar in structure to the cephalosporins. They differ from cephalosporins, however, in the substitution of a sulfur atom in the dihydrothiazine ring with a methylene group to form a tetrahydropyridine ring.
External Descriptors
Not available