Compound Identification
SMILES
CN1CCN(CC1)C(=O)[C@@H](COCC1=CC=CC=C1C)NC(=O)C1=C(OC2=CC=C(Cl)C=C2)N=CC=C1
InChIKey
InChIKey=KMGRYHUFJNUDHH-RUZDIDTESA-N
Formula
C28H31ClN4O4
Mass
523.03
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 - Alpha amino acids and derivatives
Direct Parent
N-acyl-alpha amino acids and derivatives
Alternative Parents
Alpha amino acid amides Diarylethers Benzylethers Nicotinamides Phenoxy compounds Phenol ethers Toluenes Chlorobenzenes N-methylpiperazines Aryl chlorides Heteroaromatic compounds Tertiary carboxylic acid amides Trialkylamines Secondary carboxylic acid amides Azacyclic compounds Dialkyl ethers Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Diaryl ether - Benzylether - Nicotinamide - Pyridinecarboxamide - Pyridine carboxylic acid or derivatives - Phenoxy compound - Phenol ether - Chlorobenzene - Halobenzene - Toluene - N-methylpiperazine - N-alkylpiperazine - 1,4-diazinane - Monocyclic benzene moiety - Aryl chloride - Aryl halide - Piperazine - Benzenoid - Pyridine - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Tertiary aliphatic amine - Secondary carboxylic acid amide - Tertiary amine - Ether - Azacycle - Dialkyl ether - Organoheterocyclic compound - Organooxygen compound - Organic oxide - Organic nitrogen compound - Amine - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteromonocyclic 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