Compound Identification
SMILES
N[C@@H](CCC(N)=O)C(O)=O.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=HSVSQGPJDUWRKP-QPURXXKLSA-N
Formula
C21H29N5O7S
Mass
495.55
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
Glutamine and derivatives N-acyl-alpha amino acids and derivatives Alpha amino acid amides Phenylacetamides L-alpha-amino acids Aralkylamines Fatty acids and conjugates Fatty amides Thiazolidines Tertiary carboxylic acid amides Amino acids Tertiary amines Azetidines Secondary carboxylic acid amides Primary carboxylic acid amides Azacyclic compounds Dialkylthioethers Carboxylic acids Thiohemiaminal derivatives Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Hydrocarbon derivatives Monoalkylamines
Molecular Framework
Not available
Substituents
Penicillin - Glutamine or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alpha-amino acid - Alpha-amino acid or derivatives - L-alpha-amino acid - Phenylacetamide - Aralkylamine - Monocyclic benzene moiety - Fatty amide - Fatty acyl - Fatty acid - Benzenoid - Tertiary carboxylic acid amide - Thiazolidine - Amino acid or derivatives - Azetidine - Amino acid - Carboxamide group - Primary carboxylic acid amide - Secondary carboxylic acid amide - Tertiary amine - Thioether - Hemithioaminal - Azacycle - Monocarboxylic acid or derivatives - Dialkylthioether - Carboxylic acid derivative - Carboxylic acid - Organooxygen compound - Hydrocarbon derivative - Amine - Carbonyl group - Organic oxide - Primary aliphatic amine - Primary amine - Organic nitrogen compound - Organic oxygen 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