Compound Identification
SMILES
CC1=C(C)C(C)=C(C=C1)S(=O)(=O)N[C@](CCCN=C(N)N)(OCC1=CC=CC=C1)C(=O)C1C(=O)N([C@@H](C(OCC2=CC=CC=C2)C(O)=O)C(=O)OCC=C)C1=O
InChIKey
InChIKey=ZVMUQNCTBKDONO-TULXVZIPSA-N
Formula
C39H45N5O11S
Mass
791.87
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 Aspartic acid 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
-
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
Aspartic acid and derivatives
Alternative Parents
Alpha amino acid esters N-linked disaccharides Benzenesulfonamides Benzenesulfonyl compounds Benzylethers Fatty acid esters Dicarboxylic acids and derivatives Organosulfonamides 1,3-dicarbonyl compounds Dicarboximides Aminosulfonyl compounds Beta lactams Amino acids Guanidines Tertiary amines Azetidines Carboxylic acid esters Ketones Propargyl-type 1,3-dipolar organic compounds Dialkyl ethers Carboximidamides Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aspartic acid or derivatives - Alpha-amino acid ester - Disaccharide - N-linked disaccharide - Benzenesulfonamide - Benzenesulfonyl group - Benzylether - Fatty acid ester - Monocyclic benzene moiety - Organosulfonic acid amide - Dicarboxylic acid or derivatives - 1,3-dicarbonyl compound - Benzenoid - Fatty acyl - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Dicarboximide - Beta-lactam - Organic sulfonic acid or derivatives - Azetidine - Guanidine - Tertiary amine - Lactam - Ketone - Carboxylic acid ester - Amino acid - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboxylic acid - Dialkyl ether - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Ether - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organosulfur compound - Amine - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as aspartic acid and derivatives. These are compounds containing an aspartic acid or a derivative thereof resulting from reaction of aspartic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available