Compound Identification
SMILES
CC(C)C(NC(=O)OCC1=CC=CC=C1)C1=NOC(CC2=CC=CC=C2)(C1)C(=O)N[C@@H](CC(O)=O)C(=O)COC(=O)C1=C(Cl)C=CC=C1Cl
InChIKey
InChIKey=AENHVHNUHDDEQX-NWADTYJUSA-N
Formula
C35H35Cl2N3O9
Mass
712.58
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 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
2-halobenzoic acids and derivatives Benzoic acid esters Benzyloxycarbonyls Benzoyl derivatives Dichlorobenzenes Gamma-keto acids and derivatives Monosaccharides Fatty amides Aryl chlorides Isoxazolines Vinylogous halides Carbamate esters Secondary carboxylic acid amides Ketones Oxime ethers Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoate ester - Benzyloxycarbonyl - Benzoic acid or derivatives - Gamma-keto acid - 1,3-dichlorobenzene - Benzoyl - Chlorobenzene - Halobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Fatty amide - Keto acid - Monosaccharide - Fatty acyl - Carbamic acid ester - Isoxazoline - Vinylogous halide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Oxime ether - Ketone - Carboxylic acid - Organoheterocyclic compound - Azacycle - Oxacycle - Monocarboxylic acid or derivatives - Organooxygen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic 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