Compound Identification
SMILES
CC(C)[C@H](NC[C@@H](N)CS)C(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)N[C@H](CCS(N)(=O)=O)C(O)=O
InChIKey
InChIKey=DLRHGFLWGKBQOZ-YRXWBPOGSA-N
Formula
C22H35N5O6S2
Mass
529.67
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Level 5
Amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
-
Level 7
N-acyl-alpha amino acids and derivatives
- Level 8 N-acyl-alpha amino acids
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Level 7
N-acyl-alpha amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
-
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 - N-acyl-alpha amino acids and derivatives
Direct Parent
N-acyl-alpha amino acids
Alternative Parents
Valine and derivatives Alpha amino acid amides Tetrahydroisoquinolines Thia fatty acids Organosulfonamides Organic sulfonamides Benzenoids Tertiary carboxylic acid amides Aminosulfonyl compounds Tertiary amines Amino acids Secondary carboxylic acid amides Dialkylamines Carboxylic acids Azacyclic compounds Alkylthiols Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Hydrocarbon derivatives Monoalkylamines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha-amino acid - Valine or derivatives - Alpha-amino acid amide - Tetrahydroisoquinoline - Thia fatty acid - Organic sulfonic acid amide - Organosulfonic acid amide - Benzenoid - Fatty acyl - Aminosulfonyl compound - Tertiary carboxylic acid amide - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Carboxamide group - Amino acid - Secondary carboxylic acid amide - Tertiary amine - Azacycle - Organoheterocyclic compound - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Secondary amine - Alkylthiol - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Primary aliphatic amine - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Primary amine - Amine - Organic oxide - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom.
External Descriptors
Not available