Compound Identification
SMILES
[Na+].C[C@@H](O)[C@H]1[C@H]2CC(NCCN=CN)=C(N2C1=O)C(O)=O.CC1(C)C[C@@H]1C(=O)N\C(=C/CCCCSC[C@H](N)C(O)=O)C([O-])=O
InChIKey
InChIKey=ZUYXKOGCKYEFON-VJRLFRHPSA-M
Formula
C28H43N6NaO9S
Mass
662.73
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
-
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
L-cysteine-S-conjugates Carbapenems L-alpha-amino acids Medium-chain fatty acids Pyrroline carboxylic acids Azepines Dicarboxylic acids and derivatives Unsaturated fatty acids Cyclopropanecarboxylic acids and derivatives Vinylogous amides Tertiary carboxylic acid amides Azetidines Tertiary amines Carboxylic acid salts Amino acids Secondary carboxylic acid amides Secondary alcohols Sulfenyl compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Carboxamidines Carboximidamides Carboxylic acids Formamidines Enamines Dialkylthioethers Dialkylamines Monoalkylamines Organic zwitterions Organic sodium salts Hydrocarbon derivatives Organic oxides Carbonyl compounds
Molecular Framework
Not available
Substituents
N-acyl-alpha-amino acid - L-cysteine-s-conjugate - Cysteine or derivatives - Carbapenem - L-alpha-amino acid - Alpha-amino acid - Medium-chain fatty acid - Pyrroline carboxylic acid - Pyrroline carboxylic acid or derivatives - Azepine - Cyclopropanecarboxylic acid or derivatives - Dicarboxylic acid or derivatives - Fatty acyl - Fatty acid - Unsaturated fatty acid - Pyrroline - Vinylogous amide - Tertiary carboxylic acid amide - Beta-lactam - Azetidine - Carboxamide group - Carboxylic acid salt - Amino acid - Lactam - Secondary alcohol - Secondary carboxylic acid amide - Tertiary amine - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Formamidine - Organoheterocyclic compound - Carboximidamide - Organic alkali metal salt - Organic 1,3-dipolar compound - Dialkylthioether - Thioether - Carboxylic acid amidine - Azacycle - Carboxylic acid - Amidine - Enamine - Secondary aliphatic amine - Organic oxygen compound - Hydrocarbon derivative - Amine - Primary aliphatic amine - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Organic oxide - Organic salt - Organooxygen compound - Organosulfur compound - Primary amine - Organic sodium salt - Alcohol - Organic zwitterion - Aliphatic 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