Compound Identification
SMILES
CCOC1=C(OCC2=CC=C(C=C2)[N+]([O-])=O)C=C(Br)C(C=C2SC(=O)N(CC(=O)N3CCCCCC3)C2=O)=C1
InChIKey
InChIKey=MHLDBXVLTCBTLO-UHFFFAOYSA-N
Formula
C27H28BrN3O7S
Mass
618.5
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
- 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
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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
Alpha amino acids and derivatives
Alternative Parents
Nitrobenzenes Phenoxy compounds Phenol ethers Nitroaromatic compounds Thiazolidinediones Alkyl aryl ethers Azepanes Bromobenzenes Aryl bromides Tertiary carboxylic acid amides Dicarboximides Thiocarbamic acid derivatives Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic salts Carbonyl compounds Organic zwitterions Organobromides Hydrocarbon derivatives Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid or derivatives - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - Azepane - Bromobenzene - Halobenzene - Thiazolidinedione - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Dicarboximide - Tertiary carboxylic acid amide - Thiazolidine - Thiocarbamic acid derivative - Organic nitro compound - Carboxamide group - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Ether - Organic 1,3-dipolar compound - Organic oxoazanium - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Carbonyl group - Organic salt - Organooxygen compound - Organic zwitterion - Organohalogen compound - Organic oxygen compound - Organobromide - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
External Descriptors
Not available