Compound Identification
SMILES
COC1=CC(OC)=C(C(CNC(=O)[C@H](CC2=CC(=C(F)C=C2)[N+]([O-])=O)NC(=O)OC(C)(C)C)=C1)C1=C(OC)C=CC(=C1)[C@H](COC(=O)C(C)(C)C)NC(=O)CC1=CC(O)=CC=C1
InChIKey
InChIKey=DZSFJEQODNKLCH-PXLJZGITSA-N
Formula
C45H53FN4O12
Mass
860.933
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
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Level 6
Alpha amino acids and derivatives
- Level 7 Phenylalanine and derivatives
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Level 6
Alpha amino acids and derivatives
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Level 5
Amino acids and derivatives
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Subclass
Amino acids, peptides, and analogues
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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
Phenylalanine and derivatives
Alternative Parents
Biphenyls and derivatives Alpha amino acid amides Dimethoxybenzenes Phenylacetamides Amphetamines and derivatives Nitrobenzenes Phenoxy compounds Anisoles Nitroaromatic compounds Fluorobenzenes 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Fatty amides Aryl fluorides Carbamate esters Secondary carboxylic acid amides Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Organic oxoazanium compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenylalanine or derivatives - Alpha-amino acid amide - Biphenyl - Amphetamine or derivatives - Phenylacetamide - Dimethoxybenzene - M-dimethoxybenzene - Nitrobenzene - Phenoxy compound - Anisole - Phenol ether - Nitroaromatic compound - Methoxybenzene - 1-hydroxy-4-unsubstituted benzenoid - Fluorobenzene - Halobenzene - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Alkyl aryl ether - Fatty acyl - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Fatty amide - Carbamic acid ester - Organic nitro compound - Carboxamide group - Carboxylic acid ester - C-nitro compound - Secondary carboxylic acid amide - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Ether - Monocarboxylic acid or derivatives - Organic oxide - Organofluoride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic zwitterion - Organic nitrogen compound - Hydrocarbon derivative - Organic salt - Organohalogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylalanine and derivatives. These are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available