enkephalin-Met, Arg(6)- , CAS No.76310-14-0

CAS: 76310-14-0 Cat. No.: E976596 PubChem CID: 127127

Storage

Room temperature

Specifications

Storage

Room temperature

Names and Identifiers

• Canonical Smiles: CSCCC(C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)C(CC2=CC=C(C=C2)O)N
• IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
• InChIKey: UCBRMNXTPDDSKN-CQJMVLFOSA-N
• INCHI: 1S/C33H47N9O8S/c1-51-15-13-24(30(47)42-25(32(49)50)8-5-14-37-33(35)36)41-31(48)26(17-20-6-3-2-4-7-20)40-28(45)19-38-27(44)18-39-29(46)23(34)16-21-9-11-22(43)12-10-21/h2-4,6-7,9-12,23-26,43H,5,8,13-19,34H2,1H3,(H,38,44)(H,39,46)(H,40,45)(H,41,48)(H,42,47)(H,49,50)(H4,35,36,37)/t23-,24-,25-,26-/m0/s1
• Isomeric SMILES: CSCC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)[C@H](CC2=CC=C(C=C2)O)N
• Alternate CAS: 76310-14-0
• PubChem CID: 127127
• MeSH Entry Terms: 6-Arg-Met-enkephalin;enkephalin-Met, Arg(6)-;enkephalin-Met, arginine(6)-;Met-enk-A;Met-enkephalin, Arg(6)-;methionine-enkephalin, Arg(6)-

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Peptides
          • Level6 Oligopeptides

• 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: Oligopeptides
• Alternative Parents: Tyrosine and derivatives Phenylalanine and derivatives Methionine and derivatives N-acyl-L-alpha-amino acids Alpha amino acid amides Amphetamines and derivatives Aralkylamines 1-hydroxy-2-unsubstituted benzenoids N-acyl amines Amino acids Secondary carboxylic acid amides Guanidines Monocarboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Dialkylthioethers Carboxylic acids Carboximidamides Sulfenyl compounds Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Organopnictogen compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha-oligopeptide - Tyrosine or derivatives - Phenylalanine or derivatives - Methionine or derivatives - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - N-acyl-l-alpha-amino acid - Alpha-amino acid amide - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Amphetamine or derivatives - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aralkylamine - Monocyclic benzene moiety - Fatty amide - N-acyl-amine - Fatty acyl - Benzenoid - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Amino acid - Guanidine - Carboximidamide - Thioether - Dialkylthioether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Carboxylic acid - Monocarboxylic acid or derivatives - Primary amine - Primary aliphatic amine - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 729.800 g/mol
• XLogP3: -3.600
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 22
• Exact Mass: 729.327 Da
• Monoisotopic Mass: 729.327 Da
• Topological Polar Surface Area: 319.000 Ų
• Heavy Atom Count: 51
• Formal Charge: 0
• Complexity: 1170.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1