Enkephalin-met, lys(6)- , CAS No.75909-25-0

CAS: 75909-25-0 Cat. No.: E939241 分子式: C₃₃H₄₇N₇O₈S 分子量: 701.800

Storage

Room temperature

Specifications

保管条件

Room temperature

名前と識別子

• カノニカル・スマイル: CSCC[C@@H](C(=O)N[C@@H](CCCCN)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
• IUPAC Name: (2S)-6-amino-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]hexanoic acid
• InChIKey: CFOVZGFKVVQYMH-FWEHEUNISA-N
• INCHI: 1S/C33H47N7O8S/c1-49-16-14-25(31(45)40-26(33(47)48)9-5-6-15-34)39-32(46)27(18-21-7-3-2-4-8-21)38-29(43)20-36-28(42)19-37-30(44)24(35)17-22-10-12-23(41)13-11-22/h2-4,7-8,10-13,24-27,41H,5-6,9,14-20,34-35H2,1H3,(H,36,42)(H,37,44)(H,38,43)(H,39,46)(H,40,45)(H,47,48)/t24-,25-,26-,27-/m0/s1
• 分子量: 701.800

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: 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 Medium-chain fatty acids Hydroxy fatty acids Aralkylamines Amino fatty acids 1-hydroxy-2-unsubstituted benzenoids N-acyl amines Secondary carboxylic acid amides Amino acids Sulfenyl compounds Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha-oligopeptide - Tyrosine or derivatives - Phenylalanine or derivatives - Methionine or derivatives - N-acyl-l-alpha-amino acid - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Alpha-amino acid amide - Amphetamine or derivatives - Alpha-amino acid or derivatives - N-substituted-alpha-amino acid - Medium-chain fatty acid - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Phenol - Hydroxy fatty acid - Amino fatty acid - Fatty acyl - Fatty acid - Benzenoid - N-acyl-amine - Fatty amide - Monocyclic benzene moiety - Amino acid - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Dialkylthioether - Sulfenyl compound - Thioether - Monocarboxylic acid or derivatives - Carboxylic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Amine - Aromatic homomonocyclic compound
• 説明: 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

化学的性質と物理的性質

• 分子量: 701.800 g/mol
• XLogP3: -2.600
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 22
• Exact Mass: 701.321 Da
• Monoisotopic Mass: 701.321 Da
• Topological Polar Surface Area: 280.000 Ų
• Heavy Atom Count: 49
• Formal Charge: 0
• Complexity: 1070.000
• 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