Compound Identification
SMILES
CC1(C)S[C@@H]2[C@H](NC(=O)C(N)C3=CC=CC=C3)C(=O)N2[C@H]1C(O)=O.OC(=O)C1=CC2=CC=CC=C2C(CC2=C(O)C(=CC3=CC=CC=C23)C(O)=O)=C1O
InChIKey
InChIKey=VINRLBDUARSIKR-LFJTZUKFSA-N
Formula
C39H35N3O10S
Mass
737.78
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 Naphthalenecarboxylic acids Alpha amino acid amides Naphthols and derivatives Salicylic acid and derivatives Phenylacetamides Aralkylamines Phenols Vinylogous acids Thiazolidines Tertiary carboxylic acid amides Amino acids Tertiary amines Azetidines Secondary carboxylic acid amides Dialkylthioethers Carboxylic acids Thiohemiaminal derivatives Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Monoalkylamines Organic oxides
Molecular Framework
Not available
Substituents
Penicillin - N-acyl-alpha amino acid or derivatives - 2-naphthalenecarboxylic acid - 2-naphthalenecarboxylic acid or derivatives - Alpha-amino acid amide - 2-naphthol - Alpha-amino acid or derivatives - Hydroxybenzoic acid - Naphthalene - Salicylic acid or derivatives - Phenylacetamide - Phenol - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Thiazolidine - Tertiary carboxylic acid amide - Vinylogous acid - Carboxamide group - Amino acid - Azetidine - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Monocarboxylic acid or derivatives - Thioether - Dialkylthioether - Carboxylic acid - Azacycle - Hemithioaminal - Carboxylic acid derivative - Primary amine - Organic nitrogen compound - Primary aliphatic amine - Organic oxygen compound - Carbonyl group - Organic oxide - Amine - Hydrocarbon derivative - Organonitrogen compound - Organooxygen 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