Structure Information
Structure

Compound Identification

SMILES

COC1=C(OCCCC(=O)NC2=CN(C)C(=C2)C(=O)NC2=CN(C)C(=N2)C(=O)NCCC(=O)NC2=CN(C)C(=N2)C(=O)NC2=CN(C)C(=N2)C(=O)NCCC(=O)NC2=CN(C)C(=C2)C(=O)NC2=CN(C)C(=C2)C(=O)NCCCN(C)C)C=C2N=C[C@@H]3CCCN3C(=O)C2=C1

InChIKey

InChIKey=HAEVMYKPIVHAHS-LHEWISCISA-N

Formula

C61H75N21O12

Mass

1294.406

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Taxonomic Classification

Taxonomy Tree

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

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

1,4-benzodiazepine - Beta amino acid or derivatives - Benzodiazepine - Pyrrole-2-carboxylic acid or derivatives - Pyrrole-2-carboxamide - Trisubstituted imidazole - N-arylamide - Phenol ether - 2-heteroaryl carboxamide - 1,2,4-trisubstituted-imidazole - Anisole - Alkyl aryl ether - Imidolactam - N-methylpyrrole - Fatty acyl - Benzenoid - Fatty amide - Substituted pyrrole - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Tertiary carboxylic acid amide - Pyrrole - Pyrrolidine - Tertiary amine - Secondary carboxylic acid amide - Tertiary aliphatic amine - Carboxamide group - Lactam - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Ether - Azacycle - Organoheterocyclic compound - Organooxygen compound - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organic nitrogen compound - Amine - Imine - Organic oxide - Aromatic heteropolycyclic 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

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