Compound Identification
SMILES
CCN(CC)C1=CC=C(C=C1)C1=CSC(=N1)C1CCN(CC1)C(=O)NC(C(C)C)C(=O)OC
InChIKey
InChIKey=BVMRZVFIDJTVNT-UHFFFAOYSA-N
Formula
C25H36N4O3S
Mass
472.65
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
-
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 - Alpha amino acids and derivatives - N-carbamoyl-alpha amino acids and derivatives
Direct Parent
N-carbamoyl-alpha amino acids
Alternative Parents
Valine and derivatives Alpha amino acid esters Piperidinecarboxamides Aniline and substituted anilines Dialkylarylamines 2,4-disubstituted thiazoles Fatty acid esters Methyl esters Heteroaromatic compounds Ureas Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid ester - N-carbamoyl-alpha-amino acid - Valine or derivatives - 1-piperidinecarboxamide - Piperidinecarboxamide - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - 2,4-disubstituted 1,3-thiazole - Fatty acid ester - Benzenoid - Piperidine - Fatty acyl - Monocyclic benzene moiety - Heteroaromatic compound - Methyl ester - Thiazole - Azole - Urea - Tertiary amine - Carboxylic acid ester - Carbonic acid derivative - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organopnictogen compound - Amine - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-carbamoyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an carbamoyl group at its terminal nitrogen atom.
External Descriptors
Not available