Compound Identification
SMILES
COC1=CC=C(CS[C@H]2C[C@H](N(C2)C(=O)OCC2=CC=C(C=C2)[N+]([O-])=O)C(=O)N2CCCN(CC(=O)OCC3=CC=C(C=C3)[N+]([O-])=O)CC2)C=C1
InChIKey
InChIKey=NDHMMRQKJHBQIH-ACHIHNKUSA-N
Formula
C35H39N5O10S
Mass
721.78
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 Alpha amino acid esters
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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
Alpha amino acid esters
Alternative Parents
Alpha amino acid amides Benzyloxycarbonyls Nitrobenzenes Anisoles Methoxybenzenes Nitroaromatic compounds Phenoxy compounds Pyrrolidine carboxylic acids Pyrrolidinecarboxamides 1,4-diazepanes Alkyl aryl ethers Tertiary carboxylic acid amides Carbamate esters Trialkylamines Carboxylic acid esters Organic oxoazanium compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Sulfenyl compounds Monocarboxylic acids and derivatives Dialkylthioethers Organic oxides Carbonyl compounds Organic zwitterions Organic salts Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid ester - Alpha-amino acid amide - Benzyloxycarbonyl - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Anisole - Phenol ether - Methoxybenzene - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - 1,4-diazepane - Alkyl aryl ether - Diazepane - Benzenoid - Monocyclic benzene moiety - Carbamic acid ester - Tertiary carboxylic acid amide - Pyrrolidine - Carboxamide group - Tertiary aliphatic amine - Carboxylic acid ester - Tertiary amine - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Thioether - Ether - Monocarboxylic acid or derivatives - Dialkylthioether - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Amine - Organic nitrogen compound - Organic oxide - Organic zwitterion - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic salt - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
External Descriptors
Not available