Compound Identification
SMILES
COC(=O)C1=CN(C[C@@]2(C)[C@@H](C3C(CC3=O)S2(=O)=O)C(O)=O)N=N1.CC1(C)S[C@@H]2[C@H](NC(=O)C(N)C3=CC=CC=C3)C(=O)N2[C@H]1C(O)=O
InChIKey
InChIKey=MKSQUBMXXHSBRB-WEYWRNAUSA-N
Formula
C29H34N6O11S2
Mass
706.74
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Lactams
-
Subclass
Beta lactams
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Level 5
Penams
- Level 6 Penicillins
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Level 5
Penams
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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
Penams
Direct Parent
Penicillins
Alternative Parents
N-acyl-alpha amino acids and derivatives Alpha amino acid amides Phenylacetamides Aralkylamines Thiepanes Vinylogous amides Triazoles Heteroaromatic compounds Methyl esters Thiolanes Sulfones Tertiary carboxylic acid amides Thiazolidines Ketones Azetidines Secondary carboxylic acid amides Tertiary amines Amino acids Monocarboxylic acids and derivatives Azacyclic compounds Thiohemiaminal derivatives Carboxylic acids Dialkylthioethers Monoalkylamines Hydrocarbon derivatives Organic oxides
Molecular Framework
Not available
Substituents
Penicillin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - Phenylacetamide - Thiepane - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Azole - Sulfone - Tertiary carboxylic acid amide - Thiazolidine - Heteroaromatic compound - Thiolane - 1,2,3-triazole - Methyl ester - Vinylogous amide - Amino acid or derivatives - Azetidine - Tertiary amine - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid ester - Ketone - Amino acid - Dialkylthioether - Azacycle - Hemithioaminal - Thioether - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Primary amine - Amine - Hydrocarbon derivative - Primary aliphatic amine - Organic oxide - Organooxygen compound - Organonitrogen 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