Compound Identification
SMILES
O=C(CCC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)NCCC1=CC2=CC=CC=C2C=C1)N[C@H](CC(=O)OCC1=CC=CC=C1)C(=O)NCCC1=CC=CC=C1
InChIKey
InChIKey=XPYMMMNYLWXLIU-WVILEFPPSA-N
Formula
C46H47N5O6
Mass
765.911
Taxonomic Classification
Taxonomy Tree
-
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
-
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
-
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
N-acyl-alpha amino acids and derivatives Tryptamines and derivatives Alpha amino acid amides 3-alkylindoles Naphthalenes Benzyloxycarbonyls Fatty acid esters Substituted pyrroles N-acyl amines Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aspartic acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Triptan - Benzyloxycarbonyl - Naphthalene - 3-alkylindole - Indole - Indole or derivatives - Fatty acid ester - Monocyclic benzene moiety - Fatty amide - N-acyl-amine - Fatty acyl - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Pyrrole - Carboxylic acid ester - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Carbonyl group - Aromatic heteropolycyclic 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