Compound Identification
SMILES
COC1=CC(=CC(O)=C1)C1=CC(CCCNC(=O)[C@@H](N)CC(N)=O)=C(O1)C=C1SC(=O)N(C2CC3CCC2C3)C1=O
InChIKey
InChIKey=VKFMTPXCFHJCCS-TXLIHVFHSA-N
Formula
C29H34N4O7S
Mass
582.67
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
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Level 6
Alpha amino acids and derivatives
- Level 7 Asparagine and derivatives
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Level 6
Alpha 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 - Alpha amino acids and derivatives
Direct Parent
Asparagine and derivatives
Alternative Parents
Alpha amino acid amides Methoxyphenols Bicyclic monoterpenoids Aromatic monoterpenoids Phenoxy compounds Methoxybenzenes Anisoles Thiazolidinediones Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids N-acyl amines Heteroaromatic compounds Furans Dicarboximides Thiocarbamic acid derivatives Secondary carboxylic acid amides Primary carboxylic acid amides Organic carbonic acids and derivatives Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Asparagine or derivatives - Alpha-amino acid amide - Norbornane monoterpenoid - Monoterpenoid - Methoxyphenol - Bicyclic monoterpenoid - Aromatic monoterpenoid - Phenoxy compound - Methoxybenzene - Phenol ether - Anisole - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Thiazolidinedione - Phenol - Alkyl aryl ether - Fatty acyl - Benzenoid - N-acyl-amine - Fatty amide - Monocyclic benzene moiety - Heteroaromatic compound - Thiazolidine - Furan - Dicarboximide - Thiocarbamic acid derivative - Secondary carboxylic acid amide - Primary carboxylic acid amide - Carbonic acid derivative - Carboxamide group - Oxacycle - Azacycle - Organoheterocyclic compound - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as asparagine and derivatives. These are compounds containing asparagine or a derivative thereof resulting from reaction of asparagine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available