Compound Identification
SMILES
[H]N(C(=O)C([H])(N([H])C1=C([H])C([H])=C2C3=C(C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C3OC([H])([H])[H])C([H])([H])C([H])([H])C([H])(N([H])C(=O)C([H])([H])[H])C2=C([H])C1=O)C([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C1=NC(=C([H])S1)C1=C(N([H])C2=C([H])C([H])=C(OC([H])([H])[H])C([H])=C12)C([H])([H])[H]
InChIKey
InChIKey=GLADQIDKDDNMDN-UHFFFAOYSA-N
Formula
C40H45N5O7S
Mass
739.89
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 Isoleucine 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
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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
Alpha amino acid amides Indoles Tropones N-arylamides Anisoles Secondary alkylarylamines Alkyl aryl ethers 2,4-disubstituted thiazoles Substituted pyrroles Fatty amides Heteroaromatic compounds Acetamides Secondary carboxylic acid amides Cyclic ketones Azacyclic compounds Organopnictogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoleucine or derivatives - Alpha-amino acid amide - Indole or derivatives - Indole - N-arylamide - Tropone - Anisole - Secondary aliphatic/aromatic amine - Alkyl aryl ether - 2,4-disubstituted 1,3-thiazole - Fatty acyl - Benzenoid - Substituted pyrrole - Fatty amide - Heteroaromatic compound - Acetamide - Thiazole - Pyrrole - Azole - Cyclic ketone - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Secondary amine - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - 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