Compound Identification
SMILES
COC1=CC=C(C=C1)[C@H]1SC[C@H](N1C(=O)[C@@H](NC(=O)CCC(O)=O)C(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OC1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=XGUXECBFMNZZIW-ACPSPAFPSA-N
Formula
C35H38N4O10S
Mass
706.77
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
-
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
Phenylalanine and derivatives
Alternative Parents
Valine and derivatives N-acyl-alpha amino acids and derivatives Alpha amino acid esters Alpha amino acid amides Amphetamines and derivatives Phenol esters Nitrobenzenes Methoxybenzenes Anisoles Nitroaromatic compounds Phenoxy compounds Fatty acid esters Alkyl aryl ethers N-acyl amines Dicarboxylic acids and derivatives Tertiary carboxylic acid amides Thiazolidines Secondary carboxylic acid amides Carboxylic acid esters Organic oxoazanium compounds Dialkylthioethers Carboxylic acids Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carbonyl compounds Organic salts Organic zwitterions Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylalanine or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid ester - Valine or derivatives - Alpha-amino acid amide - Phenol ester - Amphetamine or derivatives - Nitrobenzene - Anisole - Methoxybenzene - Phenoxy compound - Phenol ether - Nitroaromatic compound - Fatty acid ester - Alkyl aryl ether - Monocyclic benzene moiety - Fatty acyl - Dicarboxylic acid or derivatives - Fatty amide - N-acyl-amine - Benzenoid - Tertiary carboxylic acid amide - Thiazolidine - Organic nitro compound - Carboxamide group - Carboxylic acid ester - C-nitro compound - Secondary carboxylic acid amide - Azacycle - Thioether - Carboxylic acid - Organoheterocyclic compound - Ether - Dialkylthioether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Organic salt - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Aromatic heteromonocyclic 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