Compound Identification
SMILES
CC1CC(C)(C)NC(=S)N1CC(=O)N1CCN(CC2=CC3=C(OCO3)C=C2)CC1
InChIKey
InChIKey=QJZNLHUURVXWEM-UHFFFAOYSA-N
Formula
C21H30N4O3S
Mass
418.56
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
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
Direct Parent
Alpha amino acids and derivatives
Alternative Parents
Benzodioxoles N-alkylpiperazines Aralkylamines Benzenoids Tertiary carboxylic acid amides Trialkylamines Thioureas Oxacyclic compounds Azacyclic compounds Acetals Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Benzodioxole - N-alkylpiperazine - Aralkylamine - 1,3-diazinane - 1,4-diazinane - Piperazine - Benzenoid - Tertiary carboxylic acid amide - Tertiary aliphatic amine - Thiourea - Tertiary amine - Carboxamide group - Azacycle - Oxacycle - Acetal - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organosulfur compound - Carbonyl group - Organic oxygen compound - Amine - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
External Descriptors
Not available