Compound Identification
SMILES
CON=C(C(=O)N[C@H]1[C@H]2S[C@@H]3CC(=O)O[C@@]3(N2C1=O)C(O)=O)C1=CSC(N)=N1
InChIKey
InChIKey=DHXGSEGOGXZDNP-UBEMOPDMSA-N
Formula
C14H13N5O7S2
Mass
427.41
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
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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
Penams 2,4-disubstituted thiazoles 2-amino-1,3-thiazoles Dicarboxylic acids and derivatives Gamma butyrolactones Thiazolidines Tertiary carboxylic acid amides Heteroaromatic compounds Oxolanes Amino acids Tertiary amines Carboxylic acid esters Azetidines Secondary carboxylic acid amides Thiohemiaminal derivatives Dialkylthioethers Carboxylic acids Oxacyclic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Penam - 2,4-disubstituted 1,3-thiazole - Gamma butyrolactone - Dicarboxylic acid or derivatives - 1,3-thiazol-2-amine - Oxolane - Azole - Tertiary carboxylic acid amide - Thiazole - Thiazolidine - Beta-lactam - Heteroaromatic compound - Tertiary amine - Lactone - Lactam - Amino acid - Azetidine - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Oxacycle - Azacycle - Carboxylic acid - Organoheterocyclic compound - Dialkylthioether - Hemithioaminal - Thioether - Amine - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Primary amine - Organonitrogen compound - Organooxygen 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