Compound Identification
SMILES
CO\N=C(/CN(C)C(=O)C1=CC(Cl)=CC(Cl)=C1)C(CCN1CCC(CC1)N1CCCN(C[C@@H](CC2=CC=C(O)C=C2)C(N)=O)C1=O)C1=CC(Cl)=C(Cl)C=C1
InChIKey
InChIKey=JPLIJBSJYPBEAR-JRLUMHPNSA-N
Formula
C39H46Cl4N6O5
Mass
820.63
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Level 5
Amino acids and derivatives
- Level 6 Beta amino acids and derivatives
-
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
3-halobenzoic acids and derivatives Benzamides Benzoyl derivatives Dichlorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aralkylamines Pyrimidones Aryl chlorides Piperidines Diazinanes Fatty amides Tertiary carboxylic acid amides Oxime ethers Trialkylamines Primary carboxylic acid amides Ureas Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzamide - 1,3-dichlorobenzene - Benzoyl - 1,2-dichlorobenzene - Halobenzene - Aralkylamine - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Pyrimidone - Chlorobenzene - Fatty amide - 1,3-diazinane - Aryl chloride - Pyrimidine - Aryl halide - Piperidine - Benzenoid - Fatty acyl - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Urea - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Primary carboxylic acid amide - Oxime ether - Organoheterocyclic compound - Azacycle - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Amine - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organochloride - 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