Compound Identification
SMILES
C[NH2+]C1C(CC1C([O-])=O)[NH+]=C(N)CCCSC1CC2[C@@H]([C@@H](C)O)C(=O)N2[C@H]1C([O-])=O
InChIKey
InChIKey=MMCZDQXLNWAAEF-WAAMMTEVSA-N
Formula
C19H30N4O6S
Mass
442.53
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
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Level 5
Amino acids and derivatives
- Level 6 Beta amino acids and derivatives
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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
Direct Parent
Beta amino acids and derivatives
Alternative Parents
Carbapenams Alpha amino acids and derivatives Pyrrolidine carboxylic acids Caprolactams Azepanes Dicarboxylic acids and derivatives Tertiary carboxylic acid amides Quaternary ammonium salts Tertiary amines Secondary alcohols Amino acids Azetidines Carboxylic acid salts Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxamidines Carboximidamides Dialkylamines Carboxylic acids Dialkylthioethers Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Carbapenam - Beta amino acid or derivatives - Alpha-amino acid or derivatives - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine carboxylic acid - Caprolactam - Azepane - Dicarboxylic acid or derivatives - Beta-lactam - Pyrrolidine - Quaternary ammonium salt - Tertiary carboxylic acid amide - Carboxylic acid salt - Secondary alcohol - Lactam - Amino acid - Azetidine - Tertiary amine - Carboxamide group - Amidine - Azacycle - Organoheterocyclic compound - Carboxylic acid amidine - Dialkylthioether - Carboxylic acid - Secondary aliphatic amine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Carboximidamide - Thioether - Organic salt - Amine - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic zwitterion - Organic nitrogen compound - Carbonyl group - Alcohol - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
External Descriptors
Not available