Compound Identification
SMILES
CCN(CC)C(=O)C1=CC=CC=C1S(=O)C1=C(N2[C@@H]([C@@H]([C@@H](C)O)C2=O)[C@H]1C)C(=O)OCC1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=IJUUWDUTPIGLBG-ZPYJOFMRSA-N
Formula
C28H31N3O8S
Mass
569.63
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Lactams
-
Subclass
Beta lactams
- Level 5 Carbapenems
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Subclass
Beta lactams
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Class
Lactams
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Lactams
Subclass
Beta lactams
Intermediate Tree Nodes
Not available
Direct Parent
Carbapenems
Alternative Parents
Alpha amino acids and derivatives Benzyloxycarbonyls O-sulfanylbenzoic acids and derivatives Benzamides Nitrobenzenes Phenyl sulfoxides Benzoyl derivatives Nitroaromatic compounds Pyrroline carboxylic acids Azepines Tertiary carboxylic acid amides Enoate esters Sulfoxides Azetidines Tertiary amines Secondary alcohols Organic oxoazanium compounds Azacyclic compounds Sulfinyl compounds Monocarboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Carbonyl compounds Organic salts Organic zwitterions Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Carbapenem - Alpha-amino acid or derivatives - Benzyloxycarbonyl - O-sulfanylbenzoic acid or derivatives - Phenyl sulfoxide - Benzamide - Benzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - Pyrroline carboxylic acid - Pyrroline carboxylic acid or derivatives - Azepine - Monocyclic benzene moiety - Benzenoid - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary carboxylic acid amide - Pyrroline - Tertiary amine - Sulfoxide - Secondary alcohol - Amino acid or derivatives - Azetidine - Organic nitro compound - Carboxamide group - Carboxylic acid ester - C-nitro compound - Sulfinyl compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Carboxylic acid derivative - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organic salt - Organosulfur compound - Amine - Hydrocarbon derivative - Alcohol - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Organonitrogen compound - Organic oxygen compound - Organic zwitterion - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as carbapenems. These are beta-lactam derivatives in which the beta-lactam ring shares the nitrogen atom with a pyrrole-2-carboxylic acid.
External Descriptors
Not available