Compound Identification
SMILES
COC1=CC=CC(=C1)N1CCN(CC1)C(=O)[C@@H](C)NC(=O)C1=NN(C(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)=C1)C1=CC=CC=C1
InChIKey
InChIKey=RRJZVUGWLSNIST-HLADLETHSA-N
Formula
C35H43N7O6
Mass
657.772
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
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
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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 - Alpha amino acids and derivatives
Direct Parent
N-acyl-alpha amino acids and derivatives
Alternative Parents
Proline and derivatives Alpha amino acid amides N-arylpiperazines Phenylpiperazines Phenylpyrazoles Aminophenyl ethers Methoxyanilines 2-heteroaryl carboxamides Anisoles Dialkylarylamines Pyrrolidinecarboxamides Methoxybenzenes N-acylpyrrolidines Pyrazole-5-carboxamides Phenoxy compounds Alkyl aryl ethers Heteroaromatic compounds Tertiary carboxylic acid amides Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Proline or derivatives - N-acyl-alpha amino acid or derivatives - Phenylpiperazine - N-arylpiperazine - Alpha-amino acid amide - Phenylpyrazole - Aminophenyl ether - Methoxyaniline - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - 2-heteroaryl carboxamide - Phenol ether - Phenoxy compound - Pyrazole-5-carboxamide - Methoxybenzene - Anisole - Aniline or substituted anilines - Dialkylarylamine - N-acylpyrrolidine - Alkyl aryl ether - Piperazine - Benzenoid - 1,4-diazinane - Monocyclic benzene moiety - Azole - Heteroaromatic compound - Tertiary carboxylic acid amide - Pyrrolidine - Pyrazole - Carboxamide group - Tertiary amine - Secondary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Ether - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organic oxide - 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