Compound Identification
SMILES
COC1=CC=C(CN[C@H]([C@H](O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H](NC(=O)CSC2=NN=C(C)S2)C(C)(C)C)C(=O)NC2C(O)CC3=CC=CC=C23)C=C1
InChIKey
InChIKey=KFHIVQMHNDDSKC-UUHCDIPASA-N
Formula
C39H48N6O6S2
Mass
760.97
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
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
Valine and derivatives Alpha amino acid amides Phenylbutylamines Amphetamines and derivatives Indanes Phenylmethylamines Phenoxy compounds Anisoles Methoxybenzenes Benzylamines Alkylarylthioethers Aralkylamines Alkyl aryl ethers N-acyl amines Thiadiazoles Heteroaromatic compounds Secondary alcohols Secondary carboxylic acid amides Azacyclic compounds Sulfenyl compounds Dialkylamines Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Valine or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Phenylbutylamine - Amphetamine or derivatives - Indane - Phenoxy compound - Aryl thioether - Anisole - Benzylamine - Methoxybenzene - Phenol ether - Phenylmethylamine - Alkyl aryl ether - Aralkylamine - Alkylarylthioether - Monocyclic benzene moiety - Fatty amide - N-acyl-amine - Fatty acyl - Benzenoid - Thiadiazole - Azole - Heteroaromatic compound - Secondary alcohol - Secondary carboxylic acid amide - Carboxamide group - Sulfenyl compound - Organoheterocyclic compound - Thioether - Secondary amine - Azacycle - Ether - Secondary aliphatic amine - Organopnictogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Alcohol - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Amine - 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