Compound Identification
SMILES
CC(C)[C@H](NC(=O)[C@@H]1CSSCC(NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)N(C)[C@@H](CCCCN)C(=O)N[C@@H](CC2=CC=C(O)C=C2)C(=O)N1)C(N)=O
InChIKey
InChIKey=VXJPNGWGHBRKDG-FGLUFFEMSA-N
Formula
C51H67N11O11S2
Mass
1074.28
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 Aspartic acid and derivatives
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Level 6
Alpha amino acids and derivatives
-
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
Valine and derivatives Macrolactams N-acyl-alpha amino acids and derivatives Alpha amino acid amides 3-alkylindoles 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Substituted pyrroles N-acyl amines Tertiary carboxylic acid amides Heteroaromatic compounds Amino acids Tertiary amines Lactams Secondary carboxylic acid amides Organic disulfides Primary carboxylic acid amides Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aspartic acid or derivatives - N-acyl-alpha amino acid or derivatives - Macrolactam - Valine or derivatives - Alpha-amino acid amide - 3-alkylindole - Indole - Indole or derivatives - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Substituted pyrrole - Fatty acyl - N-acyl-amine - Benzenoid - Fatty amide - Monocyclic benzene moiety - Heteroaromatic compound - Tertiary carboxylic acid amide - Pyrrole - Carboxamide group - Amino acid - Lactam - Tertiary amine - Organic disulfide - Secondary carboxylic acid amide - Primary carboxylic acid amide - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid - Primary aliphatic amine - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Primary amine - 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