Structure Information
Structure

Compound Identification

SMILES

CCO.C[C@@H](O)C1[C@H]2[C@@H](C)C(S[C@H]3C[C@H](N(C)C3)C(=O)N3CC[C@@H](C3)NC(=O)CN=C(N)N)=C(N2C1=O)C(O)=O.C[C@@H](O)C1[C@H]2[C@@H](C)C(S[C@H]3C[C@H](N(C)C3)C(=O)N3CC[C@@H](C3)NC(=O)CN=C(N)N)=C(N2C1=O)C(O)=O

InChIKey

InChIKey=HDXVXTIFXFSVSS-DWTWCVOUSA-N

Formula

C48H76N14O13S2

Mass

1121.34

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Lactams

Subclass

Beta lactams

Intermediate Tree Nodes

Carbapenems

Direct Parent

Thienamycins

Alternative Parents

Alpha amino acid amides N-acylpyrrolidines Pyrrolidinecarboxamides Pyrroline carboxylic acids Azepines Vinylogous thioesters N-alkylpyrrolidines Tertiary carboxylic acid amides Trialkylamines Amino acids Thioenol ethers Azetidines Guanidines Secondary carboxylic acid amides Secondary alcohols Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Carboximidamides Hydrocarbon derivatives Carbonyl compounds Organic oxides Primary alcohols

Molecular Framework

Not available

Substituents

Thienamycin - Alpha-amino acid amide - Alpha-amino acid or derivatives - Pyrrolidine-2-carboxamide - Pyrroline carboxylic acid - Pyrroline carboxylic acid or derivatives - N-acylpyrrolidine - Pyrrolidine carboxylic acid or derivatives - Azepine - Vinylogous thioester - N-alkylpyrrolidine - Pyrrolidine - Pyrroline - Tertiary carboxylic acid amide - Thioenolether - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Secondary alcohol - Guanidine - Carboxamide group - Azetidine - Amino acid - Amino acid or derivatives - Azacycle - Organic 1,3-dipolar compound - Carboxylic acid derivative - Carboxylic acid - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Sulfenyl compound - Carboximidamide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Amine - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary alcohol - Alcohol - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as thienamycins. These are beta-lactam antibiotics that differ from penicillins in having the thiazolidine sulfur atom replaced by carbon, the sulfur then becoming the first atom in the side chain.

External Descriptors

Not available

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