Compound Identification
SMILES
CC(C)C(NC(=O)CCC(O)=O)C1=NOC(CO)(C1)C(=O)N[C@@H](CC(O)=O)C(=O)COC(=O)C1=C(Cl)C=CC=C1Cl
InChIKey
InChIKey=KQGNEFJRPUEIEA-XKIJAJFTSA-N
Formula
C25H29Cl2N3O11
Mass
618.42
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
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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
-
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
2-halobenzoic acids and derivatives Benzoic acid esters Benzoyl derivatives Dichlorobenzenes Gamma-keto acids and derivatives Aryl chlorides Dicarboxylic acids and derivatives N-acyl amines Monosaccharides Vinylogous halides Isoxazolines Secondary carboxylic acid amides Oxime ethers Carboxylic acid esters Ketones Carboxylic acids Azacyclic compounds Oxacyclic compounds Organochlorides Organic oxides Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoate ester - Benzoic acid or derivatives - Gamma-keto acid - 1,3-dichlorobenzene - Benzoyl - Chlorobenzene - Halobenzene - Benzenoid - Aryl halide - Aryl chloride - Dicarboxylic acid or derivatives - Monosaccharide - Fatty amide - Keto acid - Monocyclic benzene moiety - Fatty acyl - N-acyl-amine - Vinylogous halide - Isoxazoline - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Oxime ether - Ketone - Carboxylic acid - Organoheterocyclic compound - Azacycle - Oxacycle - Organic oxygen compound - Primary alcohol - Organic nitrogen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - 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