Compound Identification
SMILES
[Na+].[Na+].OS(O)(=O)=O.OS(O)(=O)=O.OS(O)(=O)=O.CC1(C)S[C@@H]2[C@H](NC(=O)CC3=CC=CC=C3)C(=O)N2[C@H]1C([O-])=O.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.CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](N=C(N)N)[C@@H](O)[C@@H]3N=C(N)N)O[C@@H](C)[C@]2(O)CO)O[C@@H](CO)[C@H](O)[C@H]1O.CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](N=C(N)N)[C@@H](O)[C@@H]3N=C(N)N)O[C@@H](C)[C@]2(O)CO)O[C@@H](CO)[C@H](O)[C@H]1O
InChIKey
InChIKey=RHWGKUMGNOQCBA-XXQRSETKSA-L
Formula
C79H126N18Na2O45S5
Mass
2254.24
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
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Subclass
Amino acids, peptides, and analogues
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Class
Carboxylic acids and derivatives
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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
Aminocyclitol glycosides Penicillins Valine and derivatives Naphthalenecarboxamides N-acyl-alpha amino acids Alpha amino acid amides Phenylacetamides Thia fatty acids Cyclohexanols Alkyl aryl ethers Oxanes Organic sulfuric acids N-acyl amines Monosaccharides Cyclitols and derivatives Thiazolidines Tetrahydrofurans Tertiary carboxylic acid amides Tertiary alcohols N,S-acetals Secondary carboxylic acid amides Guanidines Carboxylic acid salts Azetidines 1,2-aminoalcohols Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Dialkylthioethers Dialkylamines Carboxylic acids Carboximidamides Azacyclic compounds Acetals Primary alcohols Organopnictogen compounds Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Alpha-dipeptide - Aminoglycoside core - Amino cyclitol glycoside - Penicillin - Valine or derivatives - 1-naphthalenecarboxylic acid or derivatives - 1-naphthalenecarboxamide - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Alpha-amino acid amide - Phenylacetamide - Naphthalene - Alpha-amino acid or derivatives - Penam - Amino saccharide - Thia fatty acid - Sulfuric acid - Cyclohexanol - Alkyl aryl ether - Fatty acyl - Benzenoid - Oxane - N-acyl-amine - Monosaccharide - Fatty amide - Monocyclic benzene moiety - Cyclitol or derivatives - N,s-acetal - Thiazolidine - Tetrahydrofuran - Tertiary carboxylic acid amide - Tertiary alcohol - Organic sulfuric acid or derivatives - Cyclic alcohol - Beta-lactam - Secondary carboxylic acid amide - Secondary alcohol - Lactam - Guanidine - Carboxylic acid salt - Carboxamide group - Azetidine - 1,2-aminoalcohol - Oxacycle - Azacycle - Organic alkali metal salt - Organoheterocyclic compound - Dialkylthioether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Carboximidamide - Hemithioaminal - Thioether - Secondary amine - Monocarboxylic acid or derivatives - Ether - Secondary aliphatic amine - Carboxylic acid - Acetal - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organic zwitterion - Primary alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Alcohol - 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