Compound Identification
SMILES
C[C@]1(CN2C=CN=N2)[C@@H](C2C(CC2=O)S1(=O)=O)C(O)=O.CC1(C)S[C@@H]2[C@H](NC(=O)C(N)C3=CC=CC=C3)C(=O)N2[C@H]1C(O)=O
InChIKey
InChIKey=QUKAVEWWYOXFAU-ZSFRYTKVSA-N
Formula
C27H32N6O9S2
Mass
648.71
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 Aralkylamines Thiepanes Triazoles Thiolanes Heteroaromatic compounds Thiazolidines Sulfones Tertiary carboxylic acid amides Ketones Amino acids Secondary carboxylic acid amides Azetidines Tertiary amines Thiohemiaminal derivatives Monocarboxylic acids and derivatives Dialkylthioethers Azacyclic compounds Carboxylic acids Monoalkylamines Hydrocarbon derivatives 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 - Aralkylamine - Thiepane - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Sulfone - 1,2,3-triazole - Thiolane - Tertiary carboxylic acid amide - Thiazolidine - Amino acid or derivatives - Azetidine - Amino acid - Carboxamide group - Ketone - Secondary carboxylic acid amide - Tertiary amine - Thioether - Hemithioaminal - Dialkylthioether - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Amine - Primary aliphatic amine - Primary amine - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - 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