Compound Identification
SMILES
COC(=O)[C@@H](NC(=O)CC1=CC=CC=C1)[C@@H]1N[C@@H](C(=O)NCCNC(=O)[C@@H]2N3[C@H](SC2(C)C)C(NC(=O)CC2=CC=CC=C2)C3=O)C(C)(C)S1
InChIKey
InChIKey=NWLYQCATYRWKNH-JWXXOIAXSA-N
Formula
C35H44N6O7S2
Mass
724.89
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
Alpha amino acid esters N-acyl-alpha amino acids and derivatives Phenylacetamides Thiazolidines Tertiary carboxylic acid amides Methyl esters Azetidines Tertiary amines Secondary carboxylic acid amides Monocarboxylic acids and derivatives Azacyclic compounds Dialkylthioethers Thiohemiaminal derivatives Secondary amines Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Penicillin - Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Phenylacetamide - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Methyl ester - Thiazolidine - Amino acid or derivatives - Azetidine - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Tertiary amine - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Secondary amine - Dialkylthioether - Hemithioaminal - Thioether - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Carbonyl group - Organic oxide - Organic oxygen 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