Compound Identification
SMILES
C[C@]1(CBr)S[C@@H]2[C@H](N3C(=O)C4=CC=CC=C4C3=O)C(=O)N2[C@H]1C(=O)OCC1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=IQIBZAXOIGZGDW-BPVRBSMNSA-N
Formula
C23H18BrN3O7S
Mass
560.38
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Lactams
-
Subclass
Beta lactams
-
Level 5
Penams
- Level 6 Penicillins
-
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 Phthalimides Benzyloxycarbonyls Isoindoles Nitrobenzenes Nitroaromatic compounds N-substituted carboxylic acid imides Thiazolidines Tertiary carboxylic acid amides Azetidines Carboxylic acid esters Organic oxoazanium compounds Monocarboxylic acids and derivatives Dialkylthioethers Thiohemiaminal derivatives Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic salts Organobromides Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Alkyl bromides Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Penicillin - Alpha-amino acid ester - Phthalimide - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Isoindolone - Nitrobenzene - Isoindole or derivatives - Isoindole - Isoindoline - Nitroaromatic compound - Monocyclic benzene moiety - Carboxylic acid imide, n-substituted - Benzenoid - Thiazolidine - Tertiary carboxylic acid amide - Carboxylic acid imide - Carboxamide group - Organic nitro compound - C-nitro compound - Azetidine - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Dialkylthioether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Hemithioaminal - Monocarboxylic acid or derivatives - Thioether - Organic oxoazanium - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Organic oxide - Hydrocarbon derivative - Alkyl bromide - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organic salt - Organobromide - Organic cation - 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