Compound Identification
SMILES
COC[C@H]1C[C@](CN2C=CC=N2)(N([C@H]1C1=NC=CS1)C(=O)C1=C(F)C=C(C(C=C)=C1)C(C)(C)C)C(O)=O
InChIKey
InChIKey=DVBZESGURSNWNB-YXLNAYJUSA-N
Formula
C27H31FN4O4S
Mass
526.63
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
Alpha amino acids and derivatives
-
Level 7
N-acyl-alpha amino acids and derivatives
- Level 8 N-acyl-alpha amino acids
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Level 7
N-acyl-alpha amino acids and derivatives
-
Level 6
Alpha 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 - Alpha amino acids and derivatives - N-acyl-alpha amino acids and derivatives
Direct Parent
N-acyl-alpha amino acids
Alternative Parents
2-halobenzoic acids and derivatives Phenylpropanes Benzamides Styrenes Pyrrolidine carboxylic acids N-acylpyrrolidines Benzoyl derivatives Fluorobenzenes Aryl fluorides Vinylogous halides Thiazoles Tertiary carboxylic acid amides Pyrazoles Heteroaromatic compounds Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Dialkyl ethers Organofluorides Carbonyl compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-alpha-amino acid - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Phenylpropane - Benzoic acid or derivatives - Benzamide - N-acylpyrrolidine - Benzoyl - Styrene - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine carboxylic acid - Halobenzene - Fluorobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Vinylogous halide - Pyrazole - Pyrrolidine - Tertiary carboxylic acid amide - Thiazole - Azole - Heteroaromatic compound - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom.
External Descriptors
Not available