Compound Identification
SMILES
COC1=CC2=C(O[C@@]3(C)[C@H]([C@@H]2NC(=S)N3C2=CC=C(Br)C=C2)C(=O)NC2=CC=C(Cl)C=C2)C=C1
InChIKey
InChIKey=MYHBSMIZGCQGHM-RQTOMXEWSA-N
Formula
C25H21BrClN3O3S
Mass
558.88
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
1-benzopyrans N-phenylthioureas Anilides Anisoles N-arylamides Alkyl aryl ethers Bromobenzenes Chlorobenzenes Aryl bromides Aryl chlorides Diazinanes Secondary carboxylic acid amides Thioureas Azacyclic compounds Oxacyclic compounds Carbonyl compounds Organobromides Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Chromane - Benzopyran - N-phenylthiourea - 1-benzopyran - Anilide - Anisole - Phenol ether - N-arylamide - Alkyl aryl ether - Bromobenzene - Chlorobenzene - Halobenzene - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Aryl bromide - 1,3-diazinane - Secondary carboxylic acid amide - Thiourea - Carboxamide group - Oxacycle - Organoheterocyclic compound - Ether - Azacycle - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Organobromide - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - 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