Compound Identification
SMILES
O=C(CC1CCNCC1CC1=NOC(CSC2=CC=CC=C2)=C1)N1CCC2=CC=CC=C2C1
InChIKey
InChIKey=DBADUWHURCLESO-UHFFFAOYSA-N
Formula
C27H31N3O2S
Mass
461.62
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
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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
Delta amino acids and derivatives
Alternative Parents
Tetrahydroisoquinolines Thiophenol ethers Alkylarylthioethers Aralkylamines Piperidines Benzene and substituted derivatives Tertiary carboxylic acid amides Isoxazoles Heteroaromatic compounds Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Dialkylamines Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Delta amino acid or derivatives - Tetrahydroisoquinoline - Aryl thioether - Thiophenol ether - Alkylarylthioether - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Piperidine - Heteroaromatic compound - Azole - Isoxazole - Tertiary carboxylic acid amide - Carboxamide group - Oxacycle - Azacycle - Organoheterocyclic compound - Secondary aliphatic amine - Sulfenyl compound - Secondary amine - Thioether - Organonitrogen compound - Amine - Organooxygen compound - Organosulfur compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as delta amino acids and derivatives. These are compounds containing a carboxylic acid group and an amino group at the C5 carbon atom.
External Descriptors
Not available