Compound Identification
SMILES
COC1=C(C=CC(=C1)C(=O)N1[C@H]([C@H](COCC=C)C[C@@]1(CC(C)C)C(O)=O)C1=NC=CS1)C(C)(C)C
InChIKey
InChIKey=FECFCUYXLBBKBO-PYHHMDQSSA-N
Formula
C28H38N2O5S
Mass
514.68
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
-
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
Benzamides Phenylpropanes Anisoles Benzoyl derivatives Methoxybenzenes N-acylpyrrolidines Phenoxy compounds Pyrrolidine carboxylic acids Alkyl aryl ethers Heteroaromatic compounds Thiazoles Tertiary carboxylic acid amides Monocarboxylic acids and derivatives Azacyclic compounds Dialkyl ethers Carboxylic acids Hydrocarbon derivatives Organic oxides Organonitrogen compounds Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-alpha-amino acid - Benzoic acid or derivatives - Phenylpropane - Benzamide - Benzoyl - N-acylpyrrolidine - Phenoxy compound - Phenol ether - Anisole - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Pyrrolidine - Tertiary carboxylic acid amide - Thiazole - Heteroaromatic compound - Azole - Carboxamide group - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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