Compound Identification
SMILES
CN(C)CCCNC(=O)CCNC(=O)C1=CC(NC(=O)C2=CC(NC(=O)CCNC(=O)C3=CC(NC(=O)C4=CC(NC(=O)C5=CC=C(NC(=O)C6=NSC(NCCCN(C)C)=C6Cl)S5)=CN4C)=CN3C)=CN2C)=CN1C
InChIKey
InChIKey=WPBBWKLOJLOENS-UHFFFAOYSA-N
Formula
C49H63ClN16O8S2
Mass
1103.72
Taxonomic Classification
Taxonomy Tree
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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
Thiophene carboxamides Thiazolecarboxamides 2-heteroaryl carboxamides Pyrrole carboxamides N-arylamides 2,5-disubstituted thiophenes Aminothiazoles Aryl chlorides N-methylpyrroles Vinylogous halides Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Azacyclic compounds Organic oxides Organochlorides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - 2-heteroaryl carboxamide - Pyrrole-2-carboxamide - Pyrrole-2-carboxylic acid or derivatives - Thiazolecarboxamide - Thiazolecarboxylic acid or derivatives - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - N-arylamide - 2,5-disubstituted thiophene - 1,2-thiazolamine - Aryl chloride - Aryl halide - N-methylpyrrole - Substituted pyrrole - Vinylogous halide - Thiophene - Azole - Pyrrole - Heteroaromatic compound - Thiazole - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Azacycle - Organic oxide - Organohalogen compound - Amine - Organochloride - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic 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