Compound Identification
SMILES
C[C@]1(CCl)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O.CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)C3=CC=C(O)C=C3)C(=O)N2[C@H]1C(O)=O
InChIKey
InChIKey=ZTTAPTXTBSYAPS-LCMZITTPSA-N
Formula
C24H29ClN4O10S2
Mass
633.08
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Lactams
-
Subclass
Beta lactams
-
Level 5
Penams
- Level 6 Penicillins
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Level 5
Penams
-
Subclass
Beta lactams
-
Class
Lactams
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Lactams
Subclass
Beta lactams
Intermediate Tree Nodes
Penams
Direct Parent
Penicillins
Alternative Parents
N-acyl-alpha amino acids and derivatives Alpha amino acid amides Phenylacetamides 1-hydroxy-2-unsubstituted benzenoids Aralkylamines Thiazolidines Tertiary carboxylic acid amides Sulfones Tertiary amines Secondary carboxylic acid amides Amino acids Azetidines Thiohemiaminal derivatives Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Dialkylthioethers Organochlorides Monoalkylamines Carbonyl compounds Organic oxides Alkyl chlorides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Penicillin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - Phenylacetamide - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Phenol - Monocyclic benzene moiety - Benzenoid - Sulfone - Tertiary carboxylic acid amide - Thiazolidine - Amino acid - Carboxamide group - Azetidine - Secondary carboxylic acid amide - Amino acid or derivatives - Tertiary amine - Dialkylthioether - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Hemithioaminal - Thioether - Organic oxide - Organohalogen compound - Primary aliphatic amine - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxygen compound - Primary amine - Alkyl halide - Amine - Alkyl chloride - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as penicillins. These are organic compounds containing the penicillin core structure, which is structurally characterized by a penam ring bearing two methyl groups at position 2, and an amide group at position 6 [starting from the sulfur atom at position 1].
External Descriptors
Not available