Compound Identification
SMILES
CCOC1=C(OCC2=CC=CC(=C2)C(O)=O)C(I)=CC(C=C2SC(=O)N(CC(=O)N3CCCCCC3)C2=O)=C1
InChIKey
InChIKey=IJKIEEBLEYCQTB-UHFFFAOYSA-N
Formula
C28H29IN2O7S
Mass
664.51
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
- 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
Alpha amino acids and derivatives
Alternative Parents
Benzoic acids Phenoxy compounds Phenol ethers Benzoyl derivatives Thiazolidinediones Alkyl aryl ethers Azepanes Iodobenzenes Aryl iodides Tertiary carboxylic acid amides Dicarboximides Thiocarbamic acid derivatives Organic carbonic acids and derivatives Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organic oxides Organoiodides Carbonyl compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid or derivatives - Benzoic acid or derivatives - Benzoic acid - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Iodobenzene - Halobenzene - Azepane - Thiazolidinedione - Aryl halide - Aryl iodide - Monocyclic benzene moiety - Benzenoid - Dicarboximide - Tertiary carboxylic acid amide - Thiazolidine - Thiocarbamic acid derivative - Carboxamide group - Carbonic acid derivative - Ether - Carboxylic acid - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Organoiodide - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organohalogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
External Descriptors
Not available