Compound Identification
SMILES
CC1=C(N=C(N)S1)C(=N/O)\C(=O)N[C@H]1[C@H]2CCC(SC3=C(CSCCN)C=NC=C3)=C(N2C1=O)C(O)=O
InChIKey
InChIKey=DFPREDVIASEOOM-DRUXPEEHSA-N
Formula
C22H25N7O5S3
Mass
563.67
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 2,4,5-trisubstituted thiazoles Aryl thioethers Tetrahydropyridines Vinylogous thioesters 2-amino-1,3-thiazoles Tertiary carboxylic acid amides Heteroaromatic compounds Ketoximes Thioenol ethers Tertiary amines Amino acids Azetidines Secondary carboxylic acid amides Dialkylthioethers Carboxylic acids Sulfenyl compounds Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Monoalkylamines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Carbacephem - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - 2,4,5-trisubstituted 1,3-thiazole - Aryl thioether - Tetrahydropyridine - Pyridine - Vinylogous thioester - 1,3-thiazol-2-amine - Heteroaromatic compound - Azole - Ketoxime - Tertiary carboxylic acid amide - Thiazole - Amino acid - Carboxamide group - Azetidine - Amino acid or derivatives - Secondary carboxylic acid amide - Tertiary amine - Thioenolether - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Dialkylthioether - Thioether - Azacycle - Sulfenyl compound - Organic oxygen compound - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxide - Organosulfur compound - Primary amine - Organic nitrogen compound - Amine - Hydrocarbon derivative - 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