Compound Identification
SMILES
Cl.O=C(NC[C@H](C#C)C(=O)OCCC1=CC=CC=C1)[C@@H]1CCCN(C1)C(=O)\C=C\C1CCNCC1
InChIKey
InChIKey=CUAAQHJTMMLZBY-DTBXAKEVSA-N
Formula
C27H36ClN3O4
Mass
502.05
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
- 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
Piperidinecarboxamides N-acylpiperidines Fatty acid esters Benzene and substituted derivatives Tertiary carboxylic acid amides Secondary carboxylic acid amides Carboxylic acid esters Monocarboxylic acids and derivatives Dialkylamines Azacyclic compounds Acetylides Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - N-acyl-piperidine - 3-piperidinecarboxamide - Piperidinecarboxamide - Fatty acid ester - Monocyclic benzene moiety - Piperidine - Benzenoid - Fatty acyl - Tertiary carboxylic acid amide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Secondary amine - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Acetylide - Carbonyl group - Organic oxygen compound - Hydrochloride - Organic nitrogen compound - Amine - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - 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