Compound Identification
SMILES
CCC(C)[C@H](N(C)C(=O)CC1=CC=C(NC(=O)NC2=CC=CC=C2C)C=C1)C(=O)NCC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)C1=CC=C(C=C1)N1CC2=CC=CC=C2C1=O)C(O)=O
InChIKey
InChIKey=SCUBNVCFQPVLPA-ZHDOXWMESA-N
Formula
C46H53N7O9S
Mass
880.03
Taxonomic Classification
Taxonomy Tree
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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
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Level 5
Peptides
- Level 6 Dipeptides
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Level 5
Peptides
-
Subclass
Amino acids, peptides, and analogues
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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
Isoleucine and derivatives N-acyl-L-alpha-amino acids Proline and derivatives Alpha amino acid amides Phenylacetamides Benzenesulfonamides N-phenylureas Isoindolones Benzenesulfonyl compounds Isoindoles Pyrrolidinecarboxamides Toluenes Organosulfonamides N-acyl amines Sulfonyls Tertiary carboxylic acid amides Secondary carboxylic acid amides Lactams Ureas Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-dipeptide - Isoleucine or derivatives - Proline or derivatives - N-acyl-l-alpha-amino acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - Benzenesulfonamide - Isoindolone - Phenylacetamide - N-phenylurea - Benzenesulfonyl group - Isoindoline - Isoindole - Isoindole or derivatives - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - Toluene - Organosulfonic acid amide - Monocyclic benzene moiety - Fatty amide - Benzenoid - N-acyl-amine - Fatty acyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Pyrrolidine - Tertiary carboxylic acid amide - Sulfonyl - Secondary carboxylic acid amide - Carboxamide group - Urea - Lactam - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organosulfur compound - 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