Compound Identification
SMILES
CC1=CC(=NO1)C(=O)N[C@H](CC(O)=O)C1=CC=C(NC(=O)CC2=CC3=C(C=C2)N=C(NC2=CC=CC=C2C)O3)C=C1
InChIKey
InChIKey=PFFDYHADBVVRGC-XMMPIXPASA-N
Formula
C30H27N5O6
Mass
553.575
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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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
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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
Phenylpropanoic acids Anilides Benzoxazoles 2-heteroaryl carboxamides Aniline and substituted anilines N-arylamides Toluenes Oxazoles Heteroaromatic compounds Isoxazoles Amino acids Secondary carboxylic acid amides Carboxylic acids Oxacyclic compounds Azacyclic compounds Secondary amines Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-phenylpropanoic-acid - Beta amino acid or derivatives - Benzoxazole - Anilide - 2-heteroaryl carboxamide - N-arylamide - Aniline or substituted anilines - Toluene - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Oxazole - Isoxazole - Carboxamide group - Amino acid - Secondary carboxylic acid amide - Oxacycle - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Secondary amine - Amine - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic 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