Compound Identification
SMILES
CC1=CC2=C(C=C1)N=C(NC(=O)C1SC(=NCCN3CCOCC3)C(C(=O)NCC3=CC=CO3)=C1N)S2
InChIKey
InChIKey=WMIRCJJBPAEIHB-UHFFFAOYSA-N
Formula
C25H28N6O4S2
Mass
540.66
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
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Level 5
Amino acids and derivatives
- Level 6 Beta amino acids and derivatives
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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
Beta amino acids and derivatives
Alternative Parents
Benzothiazoles N-arylamides Benzenoids Imidothiolactones Morpholines Vinylogous amides Dihydrothiophenes Furans Heteroaromatic compounds Thiazoles Trialkylamines Secondary carboxylic acid amides Dialkyl ethers Enamines Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Hydrocarbon derivatives Carbonyl compounds Monoalkylamines Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - 1,3-benzothiazole - N-arylamide - Morpholine - Oxazinane - Imidothiolactone - Benzenoid - Azole - 2,5-dihydrothiophene - Heteroaromatic compound - Furan - Vinylogous amide - Thiazole - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Dialkyl ether - Enamine - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Primary aliphatic amine - Amine - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Primary amine - 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