Compound Identification
SMILES
CC1=NN=C(SC2=C(N3[C@H](CC2)[C@H](NC(=O)[C@H](N)C2=CC=CC=C2)C3=O)C(O)=O)S1
InChIKey
InChIKey=VXOZBXOAXZUTKG-BNOWGMLFSA-N
Formula
C19H19N5O4S2
Mass
445.51
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
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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 Aryl thioethers Tetrahydropyridines Aralkylamines Vinylogous thioesters Thiadiazoles Tertiary carboxylic acid amides Heteroaromatic compounds Thioenol ethers Secondary carboxylic acid amides Amino acids Azetidines Sulfenyl compounds Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds Monoalkylamines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Carbacephem - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - Phenylacetamide - Aryl thioether - Tetrahydropyridine - Aralkylamine - Monocyclic benzene moiety - Vinylogous thioester - Benzenoid - Azole - Tertiary carboxylic acid amide - Heteroaromatic compound - Thiadiazole - Secondary carboxylic acid amide - Azetidine - Amino acid - Carboxamide group - Amino acid or derivatives - Thioenolether - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Sulfenyl compound - Azacycle - Organic nitrogen compound - Primary aliphatic amine - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Primary amine - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - 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