Compound Identification
SMILES
COC1=CC2=C(C=C1)C(O[C@@H]1C[C@H](N(C1)C(=O)NCC1=CC=CC=C1)C(=O)N[C@]13C[C@@H]1\C=C/CCCCCNC1=CC=CC=C1S(=O)(=O)NC3=O)=CC(=N2)C1=CSC(NC(C)C)=N1
InChIKey
InChIKey=RCTCZXYICDHKMG-HWQAWLABSA-N
Formula
C46H52N8O7S2
Mass
893.09
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
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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
Proline and derivatives Alpha amino acid amides Quinolines and derivatives Pyrrolidinecarboxamides Anisoles Secondary alkylarylamines 2,4-disubstituted thiazoles Alkyl aryl ethers Pyridines and derivatives 2-amino-1,3-thiazoles Benzene and substituted derivatives Organosulfonic acids and derivatives Heteroaromatic compounds Ureas Tertiary amines Secondary carboxylic acid amides Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Proline or derivatives - Alpha-amino acid amide - Quinoline - Pyrrolidine-2-carboxamide - Pyrrolidine-1-carboxamide - Pyrrolidine carboxylic acid or derivatives - Phenol ether - Anisole - Alkyl aryl ether - 2,4-disubstituted 1,3-thiazole - Secondary aliphatic/aromatic amine - Benzenoid - Pyridine - Monocyclic benzene moiety - 1,3-thiazol-2-amine - Thiazole - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Pyrrolidine - Azole - Heteroaromatic compound - Carboxamide group - Urea - Tertiary amine - Secondary carboxylic acid amide - Ether - Organoheterocyclic compound - Azacycle - Secondary amine - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organic oxide - 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