Compound Identification
SMILES
CC(C)N(CC(C)=O)C(=O)C1=CC(=CC(=C1)C(=O)NC(CC1=CNC2=CC=CC=C12)C(C)=O)S(=O)C1=CC(=CC(=C1)C(=O)NC(CC(O)=O)C(C)=O)C(=O)NC(CC1=CC=CC=C1)C(C)=O
InChIKey
InChIKey=JIXUFBAPHQMPQM-UHFFFAOYSA-N
Formula
C49H51N5O11S
Mass
918.03
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
3-alkylindoles Amphetamines and derivatives M-sulfanylbenzoic acids and derivatives Benzamides Phenyl sulfoxides Benzoyl derivatives Gamma-keto acids and derivatives Substituted pyrroles Tertiary carboxylic acid amides Heteroaromatic compounds Sulfoxides Secondary carboxylic acid amides Ketones Carboxylic acids Sulfinyl compounds Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Amphetamine or derivatives - M-sulfanylbenzoic acid or derivatives - 3-alkylindole - Phenyl sulfoxide - Benzamide - Benzoic acid or derivatives - Indole or derivatives - Indole - Benzoyl - Gamma-keto acid - Monocyclic benzene moiety - Benzenoid - Keto acid - Substituted pyrrole - Heteroaromatic compound - Tertiary carboxylic acid amide - Pyrrole - Ketone - Sulfoxide - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Sulfinyl compound - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic 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