Compound Identification
SMILES
COC1=C(OC(=O)OCCBr)C(=NC=C1)C(=O)NC1COC(=O)C(CC2=CC=CC=C2)C(OC(=O)C(C)C)C(C)OC1=O
InChIKey
InChIKey=IFWLHTINAMDLDN-UHFFFAOYSA-N
Formula
C29H33BrN2O11
Mass
665.49
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
- 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
N-acyl-alpha amino acids and derivatives
Alternative Parents
Alpha amino acid esters Tricarboxylic acids and derivatives Pyridinecarboxylic acids and derivatives 2-heteroaryl carboxamides Alkyl aryl ethers Benzene and substituted derivatives Carbonic acid diesters Heteroaromatic compounds Secondary carboxylic acid amides Lactones Carboxylic acid esters Oxacyclic compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Alkyl bromides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Tricarboxylic acid or derivatives - Pyridine carboxylic acid or derivatives - 2-heteroaryl carboxamide - Alkyl aryl ether - Monocyclic benzene moiety - Carbonic acid diester - Benzenoid - Pyridine - Heteroaromatic compound - Carboxamide group - Carboxylic acid ester - Lactone - Secondary carboxylic acid amide - Carbonic acid derivative - Oxacycle - Ether - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Alkyl halide - Alkyl bromide - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organooxygen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.
External Descriptors
Not available