Compound Identification
SMILES
CN1N=NN=C1SCC1=C(OC(O)=O)N2[C@@H](SC1)C(NC(=O)C(=C(Cl)Cl)C1=CSC(N)=N1)C2=O
InChIKey
InChIKey=PCFAIEPSGDMDLJ-RLROJCQXSA-N
Formula
C16H14Cl2N8O5S3
Mass
565.42
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
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
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Class
Carboxylic acids and derivatives
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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 2,4-disubstituted thiazoles Alkylarylthioethers 1,3-thiazines 2-amino-1,3-thiazoles Vinylogous halides Tetrazoles Tertiary carboxylic acid amides Carbonic acid monoesters Heteroaromatic compounds Secondary carboxylic acid amides Azetidines Ketene acetals Vinyl chlorides Thiohemiaminal derivatives Sulfenyl compounds Azacyclic compounds Chloroalkenes Dialkylthioethers Organic oxides Carbonyl compounds Hydrocarbon derivatives Primary amines Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Cephem - Aryl thioether - 2,4-disubstituted 1,3-thiazole - Alkylarylthioether - Meta-thiazine - 1,3-thiazol-2-amine - Azole - Beta-lactam - Heteroaromatic compound - Carbonic acid monoester - Tertiary carboxylic acid amide - Vinylogous halide - Tetrazole - Thiazole - Azetidine - Carboxamide group - Ketene acetal or derivatives - Lactam - Carbonic acid derivative - Secondary carboxylic acid amide - Organoheterocyclic compound - Vinyl halide - Vinyl chloride - Hemithioaminal - Thioether - Sulfenyl compound - Dialkylthioether - Azacycle - Chloroalkene - Haloalkene - Organic oxide - Amine - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organohalogen compound - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary amine - 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