Compound Identification
SMILES
CSCC[C@H](NC(=O)N[C@H](Cc1cccc(O)c1)C(O)=O)C(=O)N[C@@H]([C@H](C)N(C)C(=O)[C@H]1Cc2cc(O)ccc2CN1)C(=O)N\C=C1\C[C@@H](O)[C@H](O1)n1ccc(=O)[nH]c1=O
InChIKey
InChIKey=XWORGFMCZJWEQG-VSECBKNWSA-N
Formula
C39H48N8O12S
Mass
852.92
Taxonomic Classification
Taxonomy Tree
-
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
-
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
Phenylalanine and derivatives Methionine and derivatives N-acyl-alpha amino acids and derivatives N-carbamoyl-alpha amino acids Alpha amino acid amides Phenylpropanoic acids Tetrahydroisoquinolines Amphetamines and derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Aralkylamines Pyrimidones Hydropyrimidines N-acyl amines Tetrahydrofurans Vinylogous amides Tertiary carboxylic acid amides Heteroaromatic compounds Secondary alcohols Ureas Amino acids Secondary carboxylic acid amides Lactams Oxacyclic compounds Monocarboxylic acids and derivatives Sulfenyl compounds Azacyclic compounds Dialkylthioethers Dialkylamines Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organopnictogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-dipeptide - Phenylalanine or derivatives - Methionine or derivatives - N-carbamoyl-alpha-amino acid or derivatives - N-carbamoyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - 3-phenylpropanoic-acid - Tetrahydroisoquinoline - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Amphetamine or derivatives - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Pyrimidone - 1-hydroxy-4-unsubstituted benzenoid - Monocyclic benzene moiety - Fatty amide - Hydropyrimidine - N-acyl-amine - Pyrimidine - Fatty acyl - Benzenoid - Tetrahydrofuran - Tertiary carboxylic acid amide - Vinylogous amide - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Secondary alcohol - Amino acid or derivatives - Lactam - Amino acid - Carbonic acid derivative - Urea - Sulfenyl compound - Dialkylthioether - Thioether - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Azacycle - Secondary amine - Carboxylic acid - Secondary aliphatic amine - Amine - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Alcohol - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxide - 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