Compound Identification
SMILES
COC1=CC=CC(CC2=NSC(=N2)N(CC(=O)N2CCN(CC=CC3=CC=CC=C3)CC2)CC2=CC=CC=C2)=C1
InChIKey
InChIKey=KKNHJGPQSVYFSB-UHFFFAOYSA-N
Formula
C32H35N5O2S
Mass
553.73
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
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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
Direct Parent
Alpha amino acids and derivatives
Alternative Parents
Anisoles Benzylamines Dialkylarylamines Methoxybenzenes Phenoxy compounds Styrenes N-alkylpiperazines Alkyl aryl ethers Heteroaromatic compounds Tertiary carboxylic acid amides Thiadiazoles Trialkylamines Azacyclic compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid or derivatives - Anisole - Benzylamine - Phenol ether - Styrene - Dialkylarylamine - Methoxybenzene - Phenoxy compound - N-alkylpiperazine - Alkyl aryl ether - Monocyclic benzene moiety - 1,4-diazinane - Benzenoid - Piperazine - Heteroaromatic compound - Azole - Thiadiazole - Tertiary carboxylic acid amide - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Ether - Organoheterocyclic compound - Azacycle - Amine - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - 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