Compound Identification
SMILES
[H+].[H+].[Mg++].Cl.NC(CC([O-])=O)C([O-])=O.NC(CC([O-])=O)C([O-])=O.CCN(CC)CCOC(=O)C1=CC=C(N)C=C1
InChIKey
InChIKey=GRAMCUGYYSXQQQ-UHFFFAOYSA-L
Formula
C21H33ClMgN4O10
Mass
561.27
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
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Level 5
Amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
- Level 7 Aspartic acid and derivatives
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Level 6
Alpha 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 - Alpha amino acids and derivatives
Direct Parent
Aspartic acid and derivatives
Alternative Parents
Benzoic acid esters Aminobenzoic acids and derivatives Alpha amino acids Benzoyl derivatives Aniline and substituted anilines Fatty acids and conjugates Dicarboxylic acids and derivatives Trialkylamines Carboxylic acid salts Carboxylic acid esters Amino acids Organic metal halides Carboxylic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Aspartic acid or derivatives - Benzoate ester - Aminobenzoic acid or derivatives - Alpha-amino acid - Benzoic acid or derivatives - Aniline or substituted anilines - Benzoyl - Fatty acid - Benzenoid - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Amino acid - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid salt - Carboxylic acid ester - Organic metal halide - Carboxylic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Hydrochloride - Organic salt - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Amine - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as aspartic acid and derivatives. These are compounds containing an aspartic acid or a derivative thereof resulting from reaction of aspartic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available