Compound Identification
SMILES
CC(C)[C@H](NC(=O)OC[C@@H]1O[C@@H]1[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](NC(=O)COC1=CC=CC2=C1C=CN=C2)C(C)(C)S(C)(=O)=O)C1=CC=CC=C1
InChIKey
InChIKey=LKELNHRZRFSFTI-KBPXXTOBSA-N
Formula
C39H46N4O8S
Mass
730.88
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
- Level 5 Amino acids and derivatives
-
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 Amphetamines and derivatives Isoquinolines and derivatives Phenylpropanes Alkyl aryl ethers Pyridines and derivatives N-acyl amines Sulfones Carbamate esters Heteroaromatic compounds Secondary carboxylic acid amides Organic carbonic acids and derivatives Oxacyclic compounds Azacyclic compounds Dialkyl ethers Epoxides Organic oxides Carbonyl compounds Organonitrogen compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Valine or derivatives - Alpha-amino acid amide - Amphetamine or derivatives - Isoquinoline - Phenylpropane - Alkyl aryl ether - Monocyclic benzene moiety - Pyridine - Benzenoid - N-acyl-amine - Fatty acyl - Fatty amide - Sulfonyl - Carbamic acid ester - Heteroaromatic compound - Sulfone - Carboxamide group - Carbonic acid derivative - Secondary carboxylic acid amide - Dialkyl ether - Oxirane - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organosulfur compound - Organooxygen compound - Organonitrogen compound - 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