Compound Identification
SMILES
CC1=NN=C(SCC2=C(N3[C@H](SC2)[C@@H](NC(=O)C2=CC=C(COC4=CC=C(F)C=C4)O2)C3=O)C(O)=O)S1
InChIKey
InChIKey=YXVNTTWFDYCVSB-LAUBAEHRSA-N
Formula
C23H19FN4O6S3
Mass
562.61
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
- Level 5 Amino acids and derivatives
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Subclass
Amino acids, peptides, and analogues
-
Class
Carboxylic acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Amino acids, peptides, and analogues
Intermediate Tree Nodes
Amino acids and derivatives - Alpha amino acids and derivatives
Direct Parent
N-acyl-alpha amino acids and derivatives
Alternative Parents
Cephems 2-heteroaryl carboxamides Phenoxy compounds Phenol ethers Furancarboxamides Alkyl aryl ethers Alkylarylthioethers Fluorobenzenes 1,3-thiazines Aryl fluorides Thiadiazoles Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Azetidines Dialkylthioethers Carboxylic acids Sulfenyl compounds Azacyclic compounds Oxacyclic compounds Thiohemiaminal derivatives Monocarboxylic acids and derivatives Organic oxides Organofluorides Carbonyl compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Cephem - 2-heteroaryl carboxamide - Furoic acid or derivatives - Phenoxy compound - Aryl thioether - Phenol ether - Furancarboxamide - Halobenzene - Alkyl aryl ether - Fluorobenzene - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Aryl fluoride - Meta-thiazine - Aryl halide - Furan - Beta-lactam - Thiadiazole - Tertiary carboxylic acid amide - Azole - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Lactam - Azetidine - Oxacycle - Azacycle - Organoheterocyclic compound - Dialkylthioether - Sulfenyl compound - Carboxylic acid - Hemithioaminal - Ether - Thioether - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organofluoride - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.
External Descriptors
Not available