Compound Identification
SMILES
Cl.[H][C@]1(CO)O[C@]([H])(OC2=CC(O)=CC3=C2C2=C(O)C=CC(=C2)[C@@]2([H])N=C(O)[C@]4([H])N=C(O)[C@@]5([H])N=C(O)[C@]([H])(N=C(O)[C@]([H])(NC)C6=CC(OC7=CC5=C(Cl)C(O)=C7)=C(O)C=C6)C5=CC=C(OC6=C(O[C@]7([H])O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]7([H])N=C(O)CCCCCCCCC(C)C)C(OC7=C(Cl)C=C(C=C7)[C@@]([H])(O)[C@]([H])(N=C2O)C(O)=N[C@]3([H])C(O)=NCCCN(C)C)=CC4=C6)C=C5)[C@@]([H])(O)[C@@]([H])(O)[C@]1([H])O
InChIKey
InChIKey=YKFMAZQRZAMFLK-IJKBFODSSA-N
Formula
C87H99Cl3N10O28
Mass
1839.14
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
Peptides
- Level 6 Cyclic peptides
-
Level 5
Peptides
-
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
Peptides
Direct Parent
Cyclic peptides
Alternative Parents
Saccharolipids N-acyl-alpha-hexosamines Short-chain hydroxy acids and derivatives Piperidinones Hydroxy fatty acids Heterocyclic fatty acids Halogenated fatty acids Delta lactams Branched fatty acids Beta hydroxy acids and derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Pyrans Oxanes Monosaccharides Cyclic carboximidic acids Trialkylamines Secondary alcohols Amino acids Vinyl chlorides Propargyl-type 1,3-dipolar organic compounds Polyols Oxacyclic compounds Monocarboxylic acids and derivatives Ethers Dialkylamines Chloroalkenes Carboxylic acids Azacyclic compounds Organopnictogen compounds Organochlorides Organic oxides Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cyclic alpha peptide - Saccharolipid - N-acyl-alpha-hexosamine - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Short-chain hydroxy acid - Piperidinone - Hydroxy fatty acid - Heterocyclic fatty acid - Halogenated fatty acid - Delta-lactam - Branched fatty acid - Beta-hydroxy acid - Fatty acyl - Benzenoid - Pyran - Oxane - Monosaccharide - Hydroxy acid - Cyclic carboximidic acid - Amino acid - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Amino acid or derivatives - Oxacycle - Azacycle - Chloroalkene - Haloalkene - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Vinyl halide - Vinyl chloride - Secondary amine - Polyol - Monocarboxylic acid or derivatives - Ether - Secondary aliphatic amine - Carboxylic acid - Carboximidic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Hydrochloride - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cyclic peptides. These are compounds containing a cyclic moiety bearing a peptide backbone.
External Descriptors
Not available