Compound Identification
SMILES
CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O.CC(=O)NC[C@H]1CN(C(=O)O1)C1=CC(F)=C(C=C1)N1CCOCC1.CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)C3=CC=CC=C3)C(=O)N2[C@H]1C(O)=O
InChIKey
InChIKey=DXHBFOIUMJOGPB-AJNZZVCMSA-N
Formula
C40H50FN7O13S2
Mass
919.99
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Lactams
-
Subclass
Beta lactams
-
Level 5
Penams
- Level 6 Penicillins
-
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 Phenylmorpholines Phenylacetamides Aniline and substituted anilines Dialkylarylamines Aralkylamines Fluorobenzenes Oxazolidinones Aryl fluorides Acetamides Thiazolidines Tertiary carboxylic acid amides Sulfones Carbamate esters Secondary carboxylic acid amides Amino acids Azetidines Dialkyl ethers Carboxylic acids Monocarboxylic acids and derivatives Thiohemiaminal derivatives Azacyclic compounds Oxacyclic compounds Dialkylthioethers Carbonyl compounds Organic oxides Organofluorides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Penicillin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Phenylmorpholine - Alpha-amino acid or derivatives - Phenylacetamide - Aniline or substituted anilines - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Fluorobenzene - Halobenzene - Aralkylamine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Morpholine - Oxazinane - Oxazolidinone - Benzenoid - Acetamide - Sulfone - Carbamic acid ester - Oxazolidine - Tertiary carboxylic acid amide - Thiazolidine - Tertiary amine - Secondary carboxylic acid amide - Amino acid - Amino acid or derivatives - Carboxamide group - Azetidine - Thioether - Hemithioaminal - Oxacycle - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Dialkylthioether - Carboxylic acid - Ether - Dialkyl ether - Organic oxygen compound - Organic oxide - Primary aliphatic amine - Hydrocarbon derivative - Carbonyl group - Amine - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Primary amine - 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