Compound Identification
SMILES
CCC(C)(C)[C@H](NC(=O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)C(NC(=O)[C@@H](C)NC=O)C(O)C1=CC=C(Br)C=C1)C(C)(C)C)C(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](CS(O)(=O)=O)C(=O)N[C@H]1[C@@H](C)OC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](NC(=O)[C@H](CCC(N)=O)N(C)C1=O)C(C)C
InChIKey
InChIKey=GUGALNGMVNRENE-DPOFQXJLSA-N
Formula
C75H109BrN18O22S
Mass
1726.77
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Peptidomimetics
-
Subclass
Depsipeptides
- Level 5 Cyclic depsipeptides
-
Subclass
Depsipeptides
-
Class
Peptidomimetics
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Peptidomimetics
Subclass
Depsipeptides
Intermediate Tree Nodes
Not available
Direct Parent
Cyclic depsipeptides
Alternative Parents
Isoleucine and derivatives Macrolide lactams Valine and derivatives Macrolactams N-acyl-alpha amino acids and derivatives Alpha amino acid esters Proline and derivatives Tryptamines and derivatives N-formyl-alpha amino acids Alpha amino acid amides Alanine and derivatives 3-alkylindoles Pyrrolidinecarboxamides N-acylpyrrolidines Bromobenzenes Aryl bromides Dicarboxylic acids and derivatives N-acyl amines Substituted pyrroles Organosulfonic acids Tertiary carboxylic acid amides Sulfonyls Heteroaromatic compounds Alkanesulfonic acids Secondary carboxylic acid amides Secondary alcohols Primary carboxylic acid amides Carboxylic acid esters Guanidines Lactones Lactams Carboximidamides Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Oxacyclic compounds Carbonyl compounds Organobromides Organic oxides Aromatic alcohols Hydrocarbon derivatives Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cyclic depsipeptide - Isoleucine or derivatives - Macrolide lactam - Alpha-amino acid ester - Valine or derivatives - Proline or derivatives - N-acyl-alpha amino acid or derivatives - Macrolactam - Alpha-amino acid amide - N-formyl-alpha amino acid or derivatives - N-formyl-alpha-amino acid - Triptan - Alanine or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - 3-alkylindole - Indole - Indole or derivatives - Pyrrolidine carboxylic acid or derivatives - N-acylpyrrolidine - Pyrrolidine-2-carboxamide - Bromobenzene - Halobenzene - Aryl bromide - N-acyl-amine - Aryl halide - Monocyclic benzene moiety - Substituted pyrrole - Benzenoid - Fatty amide - Dicarboxylic acid or derivatives - Fatty acyl - Heteroaromatic compound - Alkanesulfonic acid - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Pyrrole - Pyrrolidine - Secondary carboxylic acid amide - Primary carboxylic acid amide - Secondary alcohol - Carboxamide group - Carboxylic acid ester - Guanidine - Lactone - Lactam - Oxacycle - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organopnictogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Aromatic alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cyclic depsipeptides. These are natural or synthetic compounds having sequences of amino and hydroxy carboxylic acid residues (usually α-amino and α-hydroxy acids) connected in a ring. The residues are commonly but not necessarily regularly alternating.
External Descriptors
CHEBI:66388 : organosulfonic acid - cyclodepsipeptide