Compound Identification
SMILES
OC(=O)C1=C(Cl)CC[C@@H]2[C@H](NC(=O)CCC(=O)N(CCCCNC(=O)C3=C(O)C(O)=CC=C3)CCCNC(=O)C3=C(O)C(O)=CC=C3)C(=O)N12
InChIKey
InChIKey=JPWNHFIUVFVMIF-RLWLMLJZSA-N
Formula
C33H38ClN5O11
Mass
716.14
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 Salicylamides Benzamides Benzoyl derivatives Catechols 1-hydroxy-2-unsubstituted benzenoids Tetrahydropyridines 1-hydroxy-4-unsubstituted benzenoids N-acyl amines Vinylogous halides Vinylogous acids Tertiary carboxylic acid amides Secondary carboxylic acid amides Azetidines Chloroalkenes Carboxylic acids Vinyl chlorides Azacyclic compounds Monocarboxylic acids and derivatives Organic oxides Carbonyl compounds Organochlorides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Carbacephem - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Salicylic acid or derivatives - Salicylamide - Benzamide - Benzoic acid or derivatives - Benzoyl - Catechol - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Tetrahydropyridine - 1-hydroxy-4-unsubstituted benzenoid - Monocyclic benzene moiety - Fatty acyl - Fatty amide - N-acyl-amine - Benzenoid - Vinylogous acid - Vinylogous halide - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Azetidine - Carboxamide group - Vinyl chloride - Azacycle - Vinyl halide - Chloroalkene - Monocarboxylic acid or derivatives - Haloalkene - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organochloride - 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