Compound Identification
SMILES
CC[C@@H](NC(=O)C1=C(F)C=C(C=C1)C(\N)=[N+]1\CCSC1)C(C)(C)C(=O)N1CCC(CC(O)=O)CC1
InChIKey
InChIKey=OBSAXQYPGGUPFN-HXUWFJFHSA-O
Formula
C25H36FN4O4S
Mass
507.64
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
-
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
-
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
2-halobenzoic acids and derivatives N-acylpiperidines Benzamides Benzoyl derivatives Fluorobenzenes Aryl fluorides Vinylogous halides Thiazolidines Tertiary carboxylic acid amides Secondary carboxylic acid amides Azacyclic compounds Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Carboximidamides Carboxamidines Organofluorides Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzamide - N-acyl-piperidine - Benzoic acid or derivatives - Benzoyl - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Piperidine - Vinylogous halide - Tertiary carboxylic acid amide - Thiazolidine - Carboxamide group - Secondary carboxylic acid amide - Thioether - Carboximidamide - Dialkylthioether - Carboxylic acid amidine - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid - Amidine - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Carbonyl group - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic cation - 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