Compound Identification
SMILES
CC[C@H](C)[C@H](NC(=O)C1=CC=C(C=C1)C1=CSC(=N1)N1CCN(C)CC1)C(=O)N1C[C@H](OC)[C@@H]2OCC(=O)[C@@H]12
InChIKey
InChIKey=QHQFJVRYKCQBLK-JRCPAZTJSA-N
Formula
C28H37N5O5S
Mass
555.69
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Level 5
Amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
- Level 7 Isoleucine and derivatives
-
Level 6
Alpha amino acids and derivatives
-
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
Hippuric acids and derivatives N-acyl-alpha amino acids and derivatives Alpha amino acid amides N-arylpiperazines Benzoyl derivatives Dialkylarylamines Furopyrroles N-acylpyrrolidines 2,4-disubstituted thiazoles N-methylpiperazines Furanones 2-amino-1,3-thiazoles Oxolanes Heteroaromatic compounds Tertiary carboxylic acid amides Ketones Trialkylamines Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoleucine or derivatives - N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Alpha-amino acid amide - N-arylpiperazine - Benzamide - Benzoic acid or derivatives - N-acylpyrrolidine - Benzoyl - Furopyrrole - Dialkylarylamine - 2,4-disubstituted 1,3-thiazole - N-methylpiperazine - N-alkylpiperazine - Piperazine - 1,3-thiazol-2-amine - 1,4-diazinane - Monocyclic benzene moiety - 3-furanone - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Tertiary carboxylic acid amide - Oxolane - Pyrrolidine - Secondary carboxylic acid amide - Ketone - Tertiary amine - Tertiary aliphatic amine - Carboxamide group - Organoheterocyclic compound - Ether - Azacycle - Dialkyl ether - Oxacycle - Organic oxide - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Amine - Organonitrogen compound - Organooxygen compound - Organic nitrogen 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