Compound Identification
SMILES
CC(C)(C)OC(=O)C1=CC(OC(C)(C)C)=C(NC(=O)[C@@H]2CC(CC([O-])=S)CN2C(=O)OCC2=CC=C(C=C2)[N+]([O-])=O)S1
InChIKey
InChIKey=QKCGOYIIQLZZQP-NNBQYGFHSA-M
Formula
C28H34N3O9S2
Mass
620.71
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Level 5
Amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
- Level 7 Proline 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
Proline and derivatives
Alternative Parents
Alpha amino acid amides Benzyloxycarbonyls Nitrobenzenes Thiophene carboxylic acids and derivatives 2,3,5-trisubstituted thiophenes Pyrrolidinecarboxamides Pyrrolidine carboxylic acids N-arylamides Nitroaromatic compounds Alkyl aryl ethers Carbamate esters Heteroaromatic compounds Secondary carboxylic acid amides Carbodithioic acids Carbothioic O-acids Carboxylic acid esters Thiocarboxylic acids Organic oxoazanium compounds Azacyclic compounds Carbonyl compounds Thiocarbonyl compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Proline or derivatives - Alpha-amino acid amide - Benzyloxycarbonyl - Nitrobenzene - Thiophene carboxylic acid or derivatives - N-arylamide - 2,3,5-trisubstituted thiophene - Pyrrolidine-2-carboxamide - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine carboxylic acid - Nitroaromatic compound - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Pyrrolidine - Thiophene - Carbamic acid ester - Heteroaromatic compound - C-nitro compound - Carboxylic acid ester - Secondary carboxylic acid amide - Carboxamide group - Carbothioic o-acid - Organic nitro compound - Carbodithioic acid - Azacycle - Organoheterocyclic compound - Ether - Thiocarboxylic acid - Organic oxoazanium - Organic oxide - Organic salt - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Thiocarbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as proline and derivatives. These are compounds containing proline or a derivative thereof resulting from reaction of proline at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available