Compound Identification
SMILES
CCOC1=C(C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(O)=O)C2=CC=CC=C2C=C1.CCCC[C@H](CC(=O)NO)C(=O)N[C@@H](CC(C)C)C(=O)NC1=CC2=CC=CC=C2C=C1
InChIKey
InChIKey=CUWOQYYQASNWLX-RIKJMBMCSA-N
Formula
C45H55N5O9S
Mass
842.02
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
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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
Penicillins Leucine and derivatives Naphthalenecarboxamides N-acyl-alpha amino acids and derivatives Alpha amino acid amides N-arylamides Alkyl aryl ethers N-acyl amines Thiazolidines Tertiary carboxylic acid amides Secondary carboxylic acid amides Azetidines Hydroxamic acids Thiohemiaminal derivatives Azacyclic compounds Carboxylic acids Dialkylthioethers Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Alpha-dipeptide - Penicillin - Leucine or derivatives - 1-naphthalenecarboxamide - 1-naphthalenecarboxylic acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Naphthalene - Penam - N-arylamide - Alkyl aryl ether - N-acyl-amine - Fatty acyl - Benzenoid - Fatty amide - Thiazolidine - Tertiary carboxylic acid amide - Beta-lactam - Azetidine - Hydroxamic acid - Lactam - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid - Ether - Dialkylthioether - Hemithioaminal - Thioether - Monocarboxylic acid or derivatives - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Organonitrogen 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