Compound Identification
SMILES
O=C(CCN(C1CC1)C(=O)C1=NC(=CC=C1)N1C=CC=C1)NNC(=O)C1=CSC(=N1)N(CC1CC1)C1CC1
InChIKey
InChIKey=CWIUFMVCRKWRHK-UHFFFAOYSA-N
Formula
C27H31N7O3S
Mass
533.65
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
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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
Pyridinecarboxamides Thiazolecarboxamides Dialkylarylamines 2-heteroaryl carboxamides 2,4-disubstituted thiazoles Substituted pyrroles 2-amino-1,3-thiazoles Tertiary carboxylic acid amides Heteroaromatic compounds Carboxylic acid hydrazides Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - Pyridinecarboxamide - Pyridine carboxylic acid or derivatives - 2-heteroaryl carboxamide - Thiazolecarboxamide - Thiazolecarboxylic acid or derivatives - Dialkylarylamine - 2,4-disubstituted 1,3-thiazole - Pyridine - Substituted pyrrole - 1,3-thiazol-2-amine - Heteroaromatic compound - Tertiary carboxylic acid amide - Pyrrole - Thiazole - Azole - Carboxamide group - Carboxylic acid hydrazide - Azacycle - Organoheterocyclic compound - Amine - Organonitrogen compound - Organooxygen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - 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