Compound Identification
SMILES
COC(=O)C1=C(NC(=O)C2SC(=NC3=C(C)C=C(C)C=C3)C(C(=O)NC3=CC(OC)=CC=C3)=C2N)SC2=C1CCC2
InChIKey
InChIKey=YSRSRNFXFLBVAL-UHFFFAOYSA-N
Formula
C30H30N4O5S2
Mass
590.71
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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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
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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
Beta amino acids and derivatives
Alternative Parents
Anilides Methoxyanilines m-Xylenes Anisoles Methoxybenzenes N-arylamides Phenoxy compounds Thiophene carboxylic acids and derivatives Alkyl aryl ethers Imidothiolactones Methyl esters Vinylogous amides Heteroaromatic compounds Dihydrothiophenes Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Enamines Monoalkylamines Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Methoxyaniline - Anilide - Phenoxy compound - Anisole - M-xylene - Xylene - Phenol ether - Methoxybenzene - Thiophene carboxylic acid or derivatives - N-arylamide - Alkyl aryl ether - Monocyclic benzene moiety - Imidothiolactone - Benzenoid - 2,5-dihydrothiophene - Heteroaromatic compound - Thiophene - Vinylogous amide - Methyl ester - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Enamine - Ether - Primary amine - Primary aliphatic amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Amine - Aromatic heteropolycyclic 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