Compound Identification
SMILES
CCC(C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(O)=O)CC1=CC=CC2=CC=CC=C12)NC(=O)CC1=CN=CN1CC1=CC=C(C=C1)C#N
InChIKey
InChIKey=MLBHNPAXTLCWTO-QTSVPKBSSA-N
Formula
C37H44N6O4S
Mass
668.86
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 Dipeptides
-
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
Dipeptides
Alternative Parents
Methionine and derivatives N-acyl-L-alpha-amino acids Alpha amino acid amides Naphthalenes Benzonitriles Imidazolyl carboxylic acids and derivatives Thia fatty acids Aralkylamines N-substituted imidazoles Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Amino acids Sulfenyl compounds Nitriles Azacyclic compounds Dialkylthioethers Carboxylic acids Monocarboxylic acids and derivatives Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-dipeptide - Methionine or derivatives - N-acyl-alpha-amino acid - N-acyl-l-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - Naphthalene - Benzonitrile - Imidazolyl carboxylic acid derivative - Aralkylamine - Thia fatty acid - Monocyclic benzene moiety - N-substituted imidazole - Fatty acyl - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Amino acid - Sulfenyl compound - Dialkylthioether - Thioether - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Carbonitrile - Nitrile - Organosulfur compound - Organooxygen compound - Organic oxygen compound - Organonitrogen compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Cyanide - Organic oxide - Carbonyl group - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.
External Descriptors
Not available