Compound Identification
SMILES
CN1C=C(NC(=O)C2=CC(NC(=O)C3=CC(=CN3C)N(CC3CO3)CC3CO3)=CN2C)C=C1C(=O)NCCC(N)=O
InChIKey
InChIKey=OLWYJZSFPCLKDD-UHFFFAOYSA-N
Formula
C27H34N8O6
Mass
566.619
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
- Level 6 Beta amino acids and derivatives
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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
Direct Parent
Beta amino acids and derivatives
Alternative Parents
Pyrrole carboxamides Dialkylarylamines 2-heteroaryl carboxamides N-methylpyrroles Heteroaromatic compounds Secondary carboxylic acid amides Primary carboxylic acid amides Oxacyclic compounds Epoxides Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - 2-heteroaryl carboxamide - Pyrrole-2-carboxamide - Pyrrole-2-carboxylic acid or derivatives - Dialkylarylamine - Tertiary aliphatic/aromatic amine - N-methylpyrrole - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Carboxamide group - Primary carboxylic acid amide - Tertiary amine - Secondary carboxylic acid amide - Dialkyl ether - Oxirane - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Amine - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
External Descriptors
Not available