Compound Identification
SMILES
ClC1=CC=CC(=C1)C(=O)N1CC[C@@H](NCC2=CN=CN2CC2=CC(OCC3=CC=CC=C3)=C(C=C2)C#N)C1=O
InChIKey
InChIKey=AWYLMLAGFGBJKE-HHHXNRCGSA-N
Formula
C30H26ClN5O3
Mass
540.02
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
-
Class
Carboxylic acids and derivatives
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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
3-halobenzoic acids and derivatives Phenoxy compounds Phenol ethers Benzonitriles Benzoyl derivatives N-acylpyrrolidines Alkyl aryl ethers Aralkylamines Chlorobenzenes Pyrrolidine-2-ones Aryl chlorides N-substituted imidazoles N-substituted carboxylic acid imides Dicarboximides Heteroaromatic compounds Lactams Dialkylamines Nitriles Azacyclic compounds Organochlorides Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - N-acylpyrrolidine - Phenoxy compound - Benzoyl - Phenol ether - Benzonitrile - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aralkylamine - 2-pyrrolidone - Pyrrolidone - Aryl halide - Aryl chloride - Carboxylic acid imide, n-substituted - Monocyclic benzene moiety - Benzenoid - N-substituted imidazole - Azole - Pyrrolidine - Carboxylic acid imide - Dicarboximide - Imidazole - Heteroaromatic compound - Lactam - Azacycle - Organoheterocyclic compound - Secondary amine - Secondary aliphatic amine - Ether - Nitrile - Carbonitrile - Carbonyl group - Organooxygen compound - Amine - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Cyanide - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic 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