Compound Identification
SMILES
OC(=O)C1=CC2=CC=CC=C2C(CC2=C(O)C(=CC3=CC=CC=C23)C(O)=O)=C1O.CC(C)(C)C(=O)OCOC(=O)[C@@H]1N2[C@H](SC1(C)C)[C@H](NC(=O)[C@H](N)C1=CC=CC=C1)C2=O
InChIKey
InChIKey=APIVUZZSBQCAPQ-FLBRFTAHSA-N
Formula
C45H45N3O12S
Mass
851.92
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Lactams
-
Subclass
Beta lactams
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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
Alpha amino acid esters Naphthalenecarboxylic acids N-acyl-alpha amino acids and derivatives Alpha amino acid amides Naphthols and derivatives Salicylic acid and derivatives Phenylacetamides Acylals Aralkylamines Dicarboxylic acids and derivatives Vinylogous acids Thiazolidines Tertiary carboxylic acid amides Secondary carboxylic acid amides Azetidines Dialkylthioethers Carboxylic acids Thiohemiaminal derivatives Azacyclic compounds Acetals Carbonyl compounds Organic oxides Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Penicillin - Alpha-amino acid ester - 2-naphthalenecarboxylic acid or derivatives - 2-naphthalenecarboxylic acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - 2-naphthol - Alpha-amino acid or derivatives - Naphthalene - Hydroxybenzoic acid - Salicylic acid or derivatives - Phenylacetamide - Acylal - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Thiazolidine - Tertiary carboxylic acid amide - Vinylogous acid - Secondary carboxylic acid amide - Carboxamide group - Azetidine - Amino acid or derivatives - Carboxylic acid ester - Acetal - Azacycle - Dialkylthioether - Carboxylic acid derivative - Hemithioaminal - Carboxylic acid - Thioether - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organic oxide - Primary amine - Primary aliphatic amine - Organooxygen compound - Organonitrogen compound - 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