Compound Identification
SMILES
CO\N=C(\C(=O)N[C@H]1[C@H]2CCC(C3=CSC(=N3)C3=CC=CO3)=C(N2C1=O)C(O)=O)C1=CSC(N)=N1
InChIKey
InChIKey=AEVABQVHBLDWLD-GMBSNUNKSA-N
Formula
C21H18N6O6S2
Mass
514.53
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 Tetrahydropyridines 2,4-disubstituted thiazoles 2-amino-1,3-thiazoles Tertiary carboxylic acid amides Furans Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Azetidines Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Carbonyl compounds Primary amines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Carbacephem - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - 2,4-disubstituted 1,3-thiazole - Tetrahydropyridine - 1,3-thiazol-2-amine - Heteroaromatic compound - Azole - Furan - Tertiary carboxylic acid amide - Thiazole - Amino acid or derivatives - Secondary carboxylic acid amide - Azetidine - Carboxamide group - Amino acid - Oxacycle - Azacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organooxygen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Primary amine - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organonitrogen 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