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
Taxonomic Classification
Taxonomy Tree
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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
1,4-benzodiazepines Anisoles 2-heteroaryl carboxamides Pyrrole carboxamides 1,2,4-trisubstituted imidazoles N-arylamides Alkyl aryl ethers Fatty amides Imidolactams N-substituted imidazoles N-methylpyrroles Tertiary carboxylic acid amides Heteroaromatic compounds Pyrrolidines Secondary carboxylic acid amides Trialkylamines Lactams Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Carbonyl compounds Hydrocarbon derivatives Imines Organic oxides
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