Compound Identification
SMILES
CCN(CC)CCC(=O)NC1=CC2=C(C=C1)N(CC1=CC=C(C=C1)C(O)=O)C(CSC1=CC3=CC=CC=C3C=C1)=C2Cl
InChIKey
InChIKey=ZKOUEIIJNGFYMK-UHFFFAOYSA-N
Formula
C34H34ClN3O3S
Mass
600.17
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
-
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
N-alkylindoles Naphthalenes Benzoic acids Indoles Benzoyl derivatives Thiophenol ethers N-arylamides Alkylarylthioethers Substituted pyrroles Aryl chlorides Heteroaromatic compounds Amino acids Trialkylamines Secondary carboxylic acid amides Sulfenyl compounds Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Naphthalene - N-alkylindole - Benzoic acid or derivatives - Benzoic acid - Indole - Indole or derivatives - Benzoyl - N-arylamide - Thiophenol ether - Aryl thioether - Alkylarylthioether - Monocyclic benzene moiety - Substituted pyrrole - Aryl chloride - Benzenoid - Aryl halide - Heteroaromatic compound - Pyrrole - Secondary carboxylic acid amide - Tertiary amine - Amino acid - Carboxamide group - Tertiary aliphatic amine - Thioether - Azacycle - Carboxylic acid - Organoheterocyclic compound - Sulfenyl compound - Organic nitrogen compound - Organooxygen compound - Carbonyl group - Amine - Hydrocarbon derivative - Organosulfur compound - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organohalogen compound - Organochloride - Aromatic heteropolycyclic 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