Compound Identification
SMILES
NS(=O)(=O)C1=C(Cl)C=C2NCNS(=O)(=O)C2=C1.CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C(O)=O.COC1=C(OC)C=C(CCN(C)CCCC(C#N)(C(C)C)C2=CC(OC)=C(OC)C=C2)C=C1
InChIKey
InChIKey=NRCPHJCBASLUMG-WDFOJNLTSA-N
Formula
C58H80ClN7O13S2
Mass
1182.88
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
Alpha amino acid esters N-acyl-L-alpha-amino acids 1,2,4-benzothiadiazine-1,1-dioxides Alpha amino acid amides Phenylbutylamines Dimethoxybenzenes Phenylpropanes Phenethylamines Indoles and derivatives Pyrrolidine carboxylic acids Phenoxy compounds Anisoles N-acylpyrrolidines Alkyl aryl ethers Aralkylamines Fatty acid esters Organosulfonamides Aryl chlorides Dicarboxylic acids and derivatives Tertiary carboxylic acid amides Aminosulfonyl compounds Carboxylic acid esters Amino acids Trialkylamines Carboxylic acids Azacyclic compounds Nitriles Dialkylamines Carbonyl compounds Organic oxides Organochlorides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Alpha-dipeptide - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid ester - N-acyl-l-alpha-amino acid - Alpha-amino acid amide - 1,2,4-benzothiadiazine-1,1-dioxide - Phenylbutylamine - Alpha-amino acid or derivatives - Benzothiadiazine - O-dimethoxybenzene - Dimethoxybenzene - Indole or derivatives - Phenethylamine - Phenylpropane - Phenoxy compound - N-acylpyrrolidine - Anisole - Phenol ether - Methoxybenzene - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Aralkylamine - Alkyl aryl ether - Fatty acid ester - Organosulfonic acid amide - Aryl chloride - Benzenoid - Aryl halide - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Fatty acyl - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Tertiary carboxylic acid amide - Pyrrolidine - Tertiary amine - Carboxamide group - Amino acid or derivatives - Tertiary aliphatic amine - Carboxylic acid ester - Amino acid - Azacycle - Organoheterocyclic compound - Secondary amine - Carboxylic acid - Secondary aliphatic amine - Ether - Nitrile - Carbonitrile - Carbonyl group - Organooxygen compound - Organosulfur compound - Cyanide - Organic oxygen compound - Organonitrogen compound - Organochloride - Organic oxide - Amine - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen 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