Compound Identification
SMILES
CC[C@H](C)[C@@H](CN[C@@H]([C@@H](C)CC)C(=O)N[C@H]1CCOC1=O)NC[C@H](CS)NC(=O)OCC1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=FXTLMKOWKJAUNC-OPKJJQJASA-N
Formula
C27H43N5O7S
Mass
581.73
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
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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
Alpha amino acid esters N-acyl-alpha amino acids and derivatives Acyl-L-homoserine lactones Alpha amino acid amides Benzyloxycarbonyls Nitrobenzenes Nitroaromatic compounds Gamma butyrolactones N-acyl amines Oxolanes Carbamate esters Secondary carboxylic acid amides Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Dialkylamines Alkylthiols Organic oxoazanium compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Isoleucine or derivatives - Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Acyl-homoserine lactone - Alpha-amino acid amide - Acyl-l-homoserine lactone - Benzyloxycarbonyl - Nitrobenzene - Nitroaromatic compound - Monocyclic benzene moiety - Fatty acyl - N-acyl-amine - Benzenoid - Gamma butyrolactone - Fatty amide - Oxolane - Carbamic acid ester - C-nitro compound - Organic nitro compound - Lactone - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Alkylthiol - Oxacycle - Organoheterocyclic compound - Secondary aliphatic amine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Secondary amine - Organic oxoazanium - Organic oxide - Organic salt - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organic zwitterion - Carbonyl group - Organosulfur compound - Organooxygen compound - Organic oxygen compound - Organonitrogen compound - Aromatic heteromonocyclic 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