Compound Identification
SMILES
CCOC(=O)C1=NOC(=C1)C1=CSC(=N1)C1CCN(CC1)C(=O)CCNC(=S)NC1=CC=C(Cl)C=C1
InChIKey
InChIKey=YWRYPQCAXYJMJC-UHFFFAOYSA-N
Formula
C24H26ClN5O4S2
Mass
548.07
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
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Level 5
Amino acids and derivatives
- Level 6 Beta amino acids and derivatives
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Level 5
Amino acids and derivatives
-
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
Direct Parent
Beta amino acids and derivatives
Alternative Parents
N-phenylthioureas N-acylpiperidines 2,4-disubstituted thiazoles Chlorobenzenes Aryl chlorides Tertiary carboxylic acid amides Heteroaromatic compounds Isoxazoles Thioureas Carboxylic acid esters Oxacyclic compounds Azacyclic compounds Organochlorides Organonitrogen compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - N-phenylthiourea - N-acyl-piperidine - 2,4-disubstituted 1,3-thiazole - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Piperidine - Azole - Heteroaromatic compound - Thiazole - Tertiary carboxylic acid amide - Isoxazole - Carboxamide group - Carboxylic acid ester - Thiourea - Organoheterocyclic compound - Azacycle - Oxacycle - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organohalogen compound - Organochloride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
External Descriptors
Not available