Compound Identification
SMILES
CC(C)[C@H](NC(=O)C1=NC2=CC=CC=C2C=C1)C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](O)CN1CC[C@H](C[C@H]1C(=O)NC(C)(C)C)OC1=NC=CC=N1
InChIKey
InChIKey=WVGRHWRWTNESQC-ZVGDERKOSA-N
Formula
C39H49N7O5
Mass
695.865
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
- Level 5 Amino acids and derivatives
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Subclass
Amino acids, peptides, and analogues
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Class
Carboxylic acids and derivatives
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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
Valine and derivatives Quinoline carboxamides Alpha amino acid amides Phenylbutylamines Amphetamines and derivatives Pyridinecarboxylic acids and derivatives Piperidinecarboxamides 2-heteroaryl carboxamides Alkyl aryl ethers Aralkylamines Pyrimidines and pyrimidine derivatives N-acyl amines Heteroaromatic compounds 1,2-aminoalcohols Secondary alcohols Secondary carboxylic acid amides Trialkylamines Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Valine or derivatives - Quinoline-2-carboxamide - Alpha-amino acid amide - Phenylbutylamine - Amphetamine or derivatives - Quinoline - 2-piperidinecarboxamide - Piperidinecarboxamide - Pyridine carboxylic acid or derivatives - 2-heteroaryl carboxamide - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Fatty amide - N-acyl-amine - Piperidine - Fatty acyl - Pyridine - Pyrimidine - Benzenoid - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Secondary alcohol - 1,2-aminoalcohol - Carboxamide group - Azacycle - Organoheterocyclic compound - Ether - Amine - Organonitrogen compound - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Alcohol - Organic nitrogen compound - Organic oxide - Aromatic heteropolycyclic 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