Compound Identification
SMILES
O=C1N(C[C@@H]2C[C@H]([NH+]3CCC[C@@]123)C1=NC(=CS1)C1=CC=CC=C1)C1CC2=CC=CC=C2C1
InChIKey
InChIKey=BPVRISAJLUOEDN-DDZLNHKNSA-O
Formula
C27H28N3OS
Mass
442.6
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
Direct Parent
Alpha amino acids and derivatives
Alternative Parents
Diazaspirononane derivatives Indanes Pyrrolizidines 2,4-disubstituted thiazoles Aralkylamines Pyrrolidine-2-ones Benzene and substituted derivatives N-alkylpyrrolidines Tertiary carboxylic acid amides Quaternary ammonium salts Heteroaromatic compounds Trialkylamines Lactams Azacyclic compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Diazaspirononane - Indane - Pyrrolizidine - Aralkylamine - 2,4-disubstituted 1,3-thiazole - Monocyclic benzene moiety - Benzenoid - N-alkylpyrrolidine - Pyrrolidone - 2-pyrrolidone - Heteroaromatic compound - Azole - Pyrrolidine - Thiazole - Tertiary carboxylic acid amide - Quaternary ammonium salt - Carboxamide group - Lactam - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Azacycle - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Amine - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
External Descriptors
Not available