Compound Identification
SMILES
CC[C@H](C)[C@H](NC(=O)[C@@H]1CC2=C(NC3=C2C=C(OCC2=CC=CC=C2)C=C3)[C@H]2CCC(=O)N12)C(O)=O
InChIKey
InChIKey=MZCTXVBVIUFUOQ-XHIRGIGLSA-N
Formula
C28H31N3O5
Mass
489.572
Taxonomic Classification
Taxonomy Tree
-
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 Isoleucine and derivatives
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Level 6
Alpha amino acids and derivatives
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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
Direct Parent
Isoleucine and derivatives
Alternative Parents
N-acyl-L-alpha-amino acids Beta carbolines Alpha amino acid amides 3-alkylindoles Phenol ethers Alkyl aryl ethers Pyrrolidine-2-ones N-alkylpyrrolidines Benzene and substituted derivatives Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Secondary carboxylic acid amides Lactams Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Carbonyl compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoleucine or derivatives - Beta-carboline - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - N-acyl-l-alpha-amino acid - Pyridoindole - Alpha-amino acid amide - 3-alkylindole - Indole - Indole or derivatives - Phenol ether - Alkyl aryl ether - Benzenoid - N-alkylpyrrolidine - Monocyclic benzene moiety - 2-pyrrolidone - Pyrrolidone - Tertiary carboxylic acid amide - Pyrrolidine - Pyrrole - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Lactam - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isoleucine and derivatives. These are compounds containing isoleucine or a derivative thereof resulting from reaction of isoleucine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available