Compound Identification
SMILES
CCN1C(SC(CNC2=CC=CC(=C2)C(=O)NCCCN2CCCC2)C1=O)C(C#N)C(=O)N[C@@H](C)CO
InChIKey
InChIKey=ITRYVMOXQSTVGC-XBQKUBBZSA-N
Formula
C26H38N6O4S
Mass
530.69
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
Aminobenzamides Benzamides Aniline and substituted anilines Phenylalkylamines Benzoyl derivatives Secondary alkylarylamines N-alkylpyrrolidines Thiazolidines Tertiary carboxylic acid amides Trialkylamines Secondary carboxylic acid amides Lactams Thiohemiaminal derivatives Azacyclic compounds Nitriles Dialkylthioethers Primary alcohols Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - Aminobenzamide - Aminobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - Phenylalkylamine - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Benzenoid - N-alkylpyrrolidine - Tertiary carboxylic acid amide - Thiazolidine - Pyrrolidine - Secondary carboxylic acid amide - Carboxamide group - Tertiary amine - Lactam - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Dialkylthioether - Hemithioaminal - Carbonitrile - Nitrile - Thioether - Secondary amine - Organic nitrogen compound - Carbonyl group - Amine - Alcohol - Organic oxygen compound - Cyanide - Organonitrogen compound - Organooxygen compound - Primary alcohol - Organic oxide - Hydrocarbon derivative - 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