Compound Identification
SMILES
C[C@@H](O)[C@@H]1[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(NC(=O)OCC3=CC=C(C=C3)[N+]([O-])=O)NC(=O)OCC3=CC=C(C=C3)[N+]([O-])=O)=C(N2C1=O)C(=O)OCC1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=KBBBUOCOQYSZHB-DQTMYKTNSA-N
Formula
C46H50N10O16S
Mass
1031.02
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Lactams
-
Subclass
Beta lactams
-
Level 5
Carbapenems
- Level 6 Thienamycins
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Level 5
Carbapenems
-
Subclass
Beta lactams
-
Class
Lactams
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Lactams
Subclass
Beta lactams
Intermediate Tree Nodes
Carbapenems
Direct Parent
Thienamycins
Alternative Parents
Alpha amino acid amides Benzyloxycarbonyls Nitrobenzenes N-acylpyrrolidines Nitroaromatic compounds Pyrrolidinecarboxamides Pyrroline carboxylic acids Azepines N-alkylpyrrolidines Vinylogous thioesters Tertiary carboxylic acid amides Carbamate esters Enoate esters Azetidines Secondary carboxylic acid amides Secondary alcohols Trialkylamines Thioenol ethers Guanidines Propargyl-type 1,3-dipolar organic compounds Sulfenyl compounds Organic oxoazanium compounds Carboximidamides Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Organic salts Organic zwitterions Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thienamycin - Alpha-amino acid amide - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Nitrobenzene - Nitroaromatic compound - N-acylpyrrolidine - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - Pyrroline carboxylic acid - Pyrroline carboxylic acid or derivatives - Azepine - Monocyclic benzene moiety - Vinylogous thioester - Benzenoid - N-alkylpyrrolidine - Pyrrolidine - Alpha,beta-unsaturated carboxylic ester - Pyrroline - Tertiary carboxylic acid amide - Carbamic acid ester - Enoate ester - Thioenolether - Carboxylic acid ester - Tertiary amine - Secondary carboxylic acid amide - Secondary alcohol - Guanidine - Amino acid or derivatives - Organic nitro compound - Tertiary aliphatic amine - C-nitro compound - Carboxamide group - Azetidine - Azacycle - Organic 1,3-dipolar compound - Organic oxoazanium - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Carboximidamide - Sulfenyl compound - Organic zwitterion - Organic salt - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organosulfur compound - Organic oxide - Alcohol - Organic nitrogen compound - Organic oxygen compound - Amine - Aromatic 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