Compound Identification
SMILES
COCCCC1=[N+]([O-])C(OCCCS(C)(=O)=O)=CC(CN(C2CC2)C(=O)C(CN)CC2=CC=C(OCCOC3=C(Cl)C=C(C)C=C3Cl)C=C2)=C1
InChIKey
InChIKey=YHLCUYSOELDAOB-UHFFFAOYSA-N
Formula
C36H47Cl2N3O8S
Mass
752.75
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
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Level 5
Amino acids and derivatives
- Level 6 Beta amino acids and derivatives
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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
Direct Parent
Beta amino acids and derivatives
Alternative Parents
Phenoxy compounds Phenol ethers Dichlorobenzenes Toluenes Alkyl aryl ethers Aralkylamines Pyridinium derivatives Aryl chlorides Tertiary carboxylic acid amides Sulfones Heteroaromatic compounds Tertiary amines Azacyclic compounds Dialkyl ethers Organic salts Carbonyl compounds Organochlorides Organic oxides Monoalkylamines Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - Phenoxy compound - 1,3-dichlorobenzene - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aralkylamine - Toluene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyridine - Pyridinium - Benzenoid - Sulfonyl - Sulfone - Tertiary carboxylic acid amide - Heteroaromatic compound - Tertiary amine - Carboxamide group - Organoheterocyclic compound - Azacycle - Dialkyl ether - Ether - Organic salt - Amine - Organohalogen compound - Primary aliphatic amine - Organochloride - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organosulfur compound - Carbonyl group - Organic oxygen compound - Primary amine - Organic nitrogen compound - Organic cation - 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