Enkephalin-leu, arg(6,7)- , CAS No.77101-32-7

CAS: 77101-32-7 Cat. No.: E1224601 PubChem CID: 3086068

Storage

Room temperature

Shipped In

Normal

Specifications

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Nomi e identificatori

• Sorrisi canonici: CC(C)CC(C(=O)NC(CCCN=C(N)N)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-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
• InChIKey: DIXKOJUSHXZXKB-QKUYTOGTSA-N
• INCHI: 1S/C40H61N13O9/c1-23(2)18-30(36(59)51-28(10-6-16-46-39(42)43)35(58)52-29(38(61)62)11-7-17-47-40(44)45)53-37(60)31(20-24-8-4-3-5-9-24)50-33(56)22-48-32(55)21-49-34(57)27(41)19-25-12-14-26(54)15-13-25/h3-5,8-9,12-15,23,27-31,54H,6-7,10-11,16-22,41H2,1-2H3,(H,48,55)(H,49,57)(H,50,56)(H,51,59)(H,52,58)(H,53,60)(H,61,62)(H4,42,43,46)(H4,44,45,47)/t27-,28-,29-,30-,31-/m0/s1
• Isomeri SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)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
• CAS alternativo: 77101-32-7
• PubChem CID: 3086068
• Termini MeSH: 6,7-Arg-Leu-enkephalin;AAL-ENK;enkephalin-Leu, Arg(6,7)-;enkephalin-Leu, arginine(6,7)-;Leu-enkephalin, Arg(6,7)-;leucine-enkephalin, Arg(6,7)-

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: 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 Leucine and derivatives N-acyl-L-alpha-amino acids Alpha amino acid amides Amphetamines and derivatives 1-hydroxy-2-unsubstituted benzenoids Aralkylamines N-acyl amines Secondary carboxylic acid amides Amino acids Guanidines Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Carboxylic acids Carboximidamides Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha-oligopeptide - Tyrosine or derivatives - Phenylalanine or derivatives - Leucine 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 - N-acyl-amine - Fatty acyl - Fatty amide - Benzenoid - Monocyclic benzene moiety - Amino acid - Secondary carboxylic acid amide - Carboxamide group - Guanidine - Amino acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Carboxylic acid - Monocarboxylic acid or derivatives - Amine - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Primary amine - Organooxygen compound - Primary aliphatic amine - Hydrocarbon derivative - Organonitrogen compound - Aromatic homomonocyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 868.000 g/mol
• XLogP3: -5.200
• Hydrogen Bond Donor Count: 13
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 27
• Exact Mass: 867.472 Da
• Monoisotopic Mass: 867.472 Da
• Topological Polar Surface Area: 387.000 Ų
• Heavy Atom Count: 62
• Formal Charge: 0
• Complexity: 1520.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• 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