Compound Identification
SMILES
COCCN1C(C)=CC(C(=O)CSC2=NC(=CC3=CC=C(OC)C=C3)C(=O)N2C2=CC(OC)=CC=C2)=C1C
InChIKey
InChIKey=ZKERQHZBNKEDQR-UHFFFAOYSA-N
Formula
C29H31N3O5S
Mass
533.64
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
Methoxyanilines Anisoles Aryl alkyl ketones Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Imidazolinones Substituted pyrroles Vinylogous amides Heteroaromatic compounds Isothioureas Dialkyl ethers Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Sulfenyl compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid or derivatives - Methoxyaniline - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Aryl alkyl ketone - Aryl ketone - Alkyl aryl ether - Monocyclic benzene moiety - Imidazolinone - Substituted pyrrole - Benzenoid - 2-imidazoline - Heteroaromatic compound - Pyrrole - Vinylogous amide - Ketone - Isothiourea - Organoheterocyclic compound - Organic 1,3-dipolar compound - Azacycle - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Dialkyl ether - Ether - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organosulfur 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