Compound Identification
SMILES
[Na+].CC1(C)S[C@@H]2[C@H](NC(=O)C(N)C3=CC=CC=C3)C(=O)N2[C@H]1C(O)=O.COC(=O)C1=C(N(C[C@@]2(C)[C@@H](C3C(CC3=O)S2(=O)=O)C([O-])=O)N=N1)C(=O)OC
InChIKey
InChIKey=MGXVWWDXJNWRDI-HQWDKXTLSA-M
Formula
C31H35N6NaO13S2
Mass
786.76
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
N-acyl-alpha amino acids and derivatives Alpha amino acid amides Phenylacetamides Thiepanes Aralkylamines Vinylogous amides Triazoles Thiolanes Thiazolidines Tertiary carboxylic acid amides Sulfones Heteroaromatic compounds Methyl esters Amino acids Tertiary amines Azetidines Carboxylic acid salts Secondary carboxylic acid amides Ketones Thiohemiaminal derivatives Dialkylthioethers Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic zwitterions Monoalkylamines Organic sodium salts Organic oxides
Molecular Framework
Not available
Substituents
Penicillin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - Phenylacetamide - Thiepane - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous amide - Thiazolidine - Azole - 1,2,3-triazole - Thiolane - Methyl ester - Tertiary carboxylic acid amide - Sulfone - Amino acid or derivatives - Azetidine - Amino acid - Carboxamide group - Carboxylic acid ester - Carboxylic acid salt - Ketone - Secondary carboxylic acid amide - Tertiary amine - Hemithioaminal - Azacycle - Thioether - Dialkylthioether - Organic alkali metal salt - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Organic zwitterion - Organic oxide - Organic oxygen compound - Primary aliphatic amine - Organic nitrogen compound - Amine - Hydrocarbon derivative - Carbonyl group - Organic sodium salt - Organic salt - Organonitrogen compound - Organooxygen 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